primary_name string | cas_number string | cid int64 | iupac_name string | canonical_smiles string | inchi string | inchi_key string | molecular_formula string | molecular_weight float64 | exact_mass float64 | xlogp float64 | tpsa float64 | complexity int64 | charge int64 | h_bond_donor_count int64 | h_bond_acceptor_count int64 | rotatable_bond_count int64 | heavy_atom_count int64 | flash_point string | boiling_point string | acute_aquatic_toxicity int64 | acute_toxicity_dermal int64 | acute_toxicity_inhalation int64 | acute_toxicity_oral int64 | aspiration_hazard int64 | carcinogenicity int64 | chronic_aquatic_toxicity int64 | eye_damage_irritation int64 | flammable_liquids int64 | flammable_solids int64 | germ_cell_mutagenicity int64 | metal_corrosion int64 | organic_peroxides int64 | reproductive_toxicity int64 | respiratory_sensitization int64 | self_reactive_substances int64 | skin_corrosion_irritation int64 | skin_sensitization int64 | stot_repeated_exposure int64 | stot_single_exposure int64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SODIUM BIS(TRIFLUOROMETHANESULFONYL)IMIDE | 091742-21-1 | 131,887,538 | null | C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F.[Na] | InChI=1S/C2HF6NO4S2.Na/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h9H; | QXZNUMVOKMLCEX-UHFFFAOYSA-N | C2HF6NNaO4S2 | 304.15 | 303.914888 | null | 97.1 | 374 | 0 | 1 | 11 | 2 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MALONDIALDEHYDE TETRABUTYLAMMONIUM SALT | 100683-54-3 | 13,707,375 | (E)-3-oxoprop-1-en-1-olate;tetrabutylazanium | CCCC[N+](CCCC)(CCCC)CCCC.C(=C/[O-])\C=O | InChI=1S/C16H36N.C3H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4-2-1-3-5/h5-16H2,1-4H3;1-4H/q+1;/p-1/b;2-1+ | GFXLQCGVBUWBHF-WLHGVMLRSA-M | C19H39NO2 | 313.5 | 313.29808 | null | 40.1 | 156 | 0 | 0 | 2 | 13 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HENEICOSAFLUORODODECYLTRICHLOROSILANE | 102488-49-3 | 2,782,914 | trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane | C(C[Si](Cl)(Cl)Cl)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C12H4Cl3F21Si/c13-37(14,15)2-1-3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)36/h1-2H2 | ZFUVZJADECZZMS-UHFFFAOYSA-N | C12H4Cl3F21Si | 681.6 | 679.881251 | null | 0 | 826 | 0 | 0 | 21 | 10 | 37 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N-DODECYLMETHLAMINE | 007311-30-0 | 81,746 | N-methyldodecan-1-amine | CCCCCCCCCCCCNC | InChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3 | OMEMQVZNTDHENJ-UHFFFAOYSA-N | C13H29N | 199.38 | 199.23 | 5.4 | 12 | 91 | 0 | 1 | 1 | 11 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1H,1H-UNDECAFLUOROHEXYLAMINE | 000355-34-0 | 21,923,864 | 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-amine | C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)N | InChI=1S/C6H4F11N/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17/h1,18H2 | FDIHRNYGDZQEAV-UHFFFAOYSA-N | C6H4F11N | 299.08 | 299.016809 | 3.1 | 26 | 303 | 0 | 1 | 12 | 4 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
FORMIC ACID-13C | 001633-56-3 | 11,115,974 | hydroxyformaldehyde | [13CH](=O)O | InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/i1+1 | BDAGIHXWWSANSR-OUBTZVSYSA-N | CH2O2 | 47.018 | 47.008834 | -0.2 | 37.3 | 10 | 0 | 1 | 2 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
L-CYSTINE DIHYDROCHLORIDE | 030925-07-6 | 21,121,987 | (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;dihydrochloride | C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N.Cl.Cl | InChI=1S/C6H12N2O4S2.2ClH/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;;/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);2*1H/t3-,4-;;/m0../s1 | HHGZUQPEIHGQST-RGVONZFCSA-N | C6H14Cl2N2O4S2 | 313.2 | 311.977205 | null | 177 | 192 | 0 | 6 | 8 | 7 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
COPPER(II) BIS(TRIFLUOROMETHANESULFONYL)IMIDE | 162715-14-2 | 12,000,378 | copper bis(bis(trifluoromethylsulfonyl)azanide) | C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Cu+2] | InChI=1S/2C2F6NO4S2.Cu/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2 | UQENANCFJGYGSY-UHFFFAOYSA-N | C4CuF12N2O8S4 | 623.8 | 622.764185 | null | 172 | 374 | 0 | 0 | 22 | 4 | 31 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MAGNESIUM BIS(TRIFLUOROMETHANESULFONIMIDE) | 133395-16-1 | 11,851,070 | magnesium bis(bis(trifluoromethylsulfonyl)azanide) | C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Mg+2] | InChI=1S/2C2F6NO4S2.Mg/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2 | DMFBPGIDUUNBRU-UHFFFAOYSA-N | C4F12MgN2O8S4 | 584.6 | 583.819629 | null | 172 | 374 | 0 | 0 | 22 | 4 | 31 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CALCIUM (II) BIS(TRIFLUOROMETHANESULFONIMIDE) | 165324-09-4 | 46,242,197 | calcium bis(bis(trifluoromethylsulfonyl)azanide) | C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.[Ca+2] | InChI=1S/2C2F6NO4S2.Ca/c2*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/q2*-1;+2 | WFABOCFDABTAPE-UHFFFAOYSA-N | C4CaF12N2O8S4 | 600.4 | 599.797179 | null | 172 | 374 | 0 | 0 | 22 | 4 | 31 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3-CHLOROPROPANESULFONYL CHLORIDE | 001633-82-5 | 15,410 | 3-chloropropane-1-sulfonyl chloride | C(CS(=O)(=O)Cl)CCl | InChI=1S/C3H6Cl2O2S/c4-2-1-3-8(5,6)7/h1-3H2 | GPKDGVXBXQTHRY-UHFFFAOYSA-N | C3H6Cl2O2S | 177.05 | 175.946556 | 1.3 | 42.5 | 134 | 0 | 0 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
OCTENYLTRICHLOROSILANE | 153447-97-3 | 104,122 | trichloro(oct-7-enyl)silane | C=CCCCCCC[Si](Cl)(Cl)Cl | InChI=1S/C8H15Cl3Si/c1-2-3-4-5-6-7-8-12(9,10)11/h2H,1,3-8H2 | MFISPHKHJHQREG-UHFFFAOYSA-N | C8H15Cl3Si | 245.6 | 244.00086 | null | 0 | 120 | 0 | 0 | 0 | 6 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2,2,2-TRIFLUOROETHYL PERFLUOROBUTYLSULFONATE | 079963-95-4 | 2,777,144 | 2,2,2-trifluoroethyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate | C(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C6H2F12O3S/c7-2(8,9)1-21-22(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2 | KJGYBFLEIPDFNQ-UHFFFAOYSA-N | C6H2F12O3S | 382.13 | 381.953303 | 4 | 51.8 | 494 | 0 | 0 | 15 | 5 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CERIUM(III) TRIFLUOROMETHANESULFONATE | 076089-77-5 | 2,733,941 | cerium(3+);tris(trifluoromethanesulfonate) | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ce+3] | InChI=1S/3CHF3O3S.Ce/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3 | PHSMPGGNMIPKTH-UHFFFAOYSA-K | C3CeF9O9S3 | 587.3 | 586.76152 | null | 197 | 145 | 0 | 0 | 18 | 0 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PHOSPHAZENE BASE P1-T-OCT | 161118-69-0 | 5,069,241 | N-[bis(dimethylamino)-(2,4,4-trimethylpentan-2-ylimino)-lambda5-phosphanyl]-N-methylmethanamine | CC(C)(C)CC(C)(C)N=P(N(C)C)(N(C)C)N(C)C | InChI=1S/C14H35N4P/c1-13(2,3)12-14(4,5)15-19(16(6)7,17(8)9)18(10)11/h12H2,1-11H3 | DSCJCKAURXOQPX-UHFFFAOYSA-N | C14H35N4P | 290.43 | 290.259934 | 3.4 | 22.1 | 309 | 0 | 0 | 4 | 6 | 19 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3,3'-(1,1,3,3-TETRAMETHYL-1,3-DISILOXANEDIYL)BIS-1-PROPANAMINE | 002469-55-8 | 17,181 | 3-[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]propan-1-amine | C[Si](C)(CCCN)O[Si](C)(C)CCCN | InChI=1S/C10H28N2OSi2/c1-14(2,9-5-7-11)13-15(3,4)10-6-8-12/h5-12H2,1-4H3 | GPXCORHXFPYJEH-UHFFFAOYSA-N | C10H28N2OSi2 | 248.51 | 248.174017 | null | 61.3 | 157 | 0 | 2 | 3 | 8 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BIS(2-ETHOXYETHYL)AMINE | 000124-21-0 | 547,396 | 2-ethoxy-N-(2-ethoxyethyl)ethanamine | CCOCCNCCOCC | InChI=1S/C8H19NO2/c1-3-10-7-5-9-6-8-11-4-2/h9H,3-8H2,1-2H3 | QDZOFZFDBDYWJX-UHFFFAOYSA-N | C8H19NO2 | 161.24 | 161.141579 | 0.2 | 30.5 | 61 | 0 | 1 | 3 | 8 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TERT-BUTYL N-(4-AMINOBUTYL)CARBAMATE | 068076-36-8 | 4,351 | tert-butyl N-(4-aminobutyl)carbamate | CC(C)(C)OC(=O)NCCCCN | InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12) | ZFQWJXFJJZUVPI-UHFFFAOYSA-N | C9H20N2O2 | 188.27 | 188.152478 | 0.7 | 64.4 | 152 | 0 | 2 | 3 | 6 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TERT-BUTYL (2-(2-AMINOETHOXY)ETHYL)CARBAMATE | 127828-22-2 | 12,106,198 | tert-butyl N-[2-(2-aminoethoxy)ethyl]carbamate | CC(C)(C)OC(=O)NCCOCCN | InChI=1S/C9H20N2O3/c1-9(2,3)14-8(12)11-5-7-13-6-4-10/h4-7,10H2,1-3H3,(H,11,12) | VULKFBHOEKTQSF-UHFFFAOYSA-N | C9H20N2O3 | 204.27 | 204.147393 | -0.2 | 73.6 | 166 | 0 | 2 | 4 | 7 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-METHYL-1-PROPANESULFONYL CHLORIDE | 035432-36-1 | 182,236 | 2-methylpropane-1-sulfonyl chloride | CC(C)CS(=O)(=O)Cl | InChI=1S/C4H9ClO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3 | NQLNHTOCFWUYQE-UHFFFAOYSA-N | C4H9ClO2S | 156.63 | 156.001178 | 1.7 | 42.5 | 142 | 0 | 0 | 2 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ISOPROPYLSULPHONYL CHLORIDE | 010147-37-2 | 82,408 | propane-2-sulfonyl chloride | CC(C)S(=O)(=O)Cl | InChI=1S/C3H7ClO2S/c1-3(2)7(4,5)6/h3H,1-2H3 | DRINJBFRTLBHNF-UHFFFAOYSA-N | C3H7ClO2S | 142.61 | 141.985528 | 1.2 | 42.5 | 130 | 0 | 0 | 2 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PERFLUORONONANE-1,9-DIOIC ACID | 023453-64-7 | 2,776,030 | 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorononanedioic acid | C(=O)(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O | InChI=1S/C9H2F14O4/c10-3(11,1(24)25)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2(26)27/h(H,24,25)(H,26,27) | WRYSWXOLGMKBKW-UHFFFAOYSA-N | C9H2F14O4 | 440.09 | 439.972953 | 4.1 | 74.6 | 572 | 0 | 2 | 18 | 8 | 27 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
6-HEPTENOIC ACID | 001119-60-4 | 70,705 | hept-6-enoic acid | C=CCCCCC(=O)O | InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h2H,1,3-6H2,(H,8,9) | RWNJOXUVHRXHSD-UHFFFAOYSA-N | C7H12O2 | 128.17 | 128.08373 | 1.7 | 37.3 | 97 | 0 | 1 | 2 | 5 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM 2-METHYL-2-PROPANETHIOLATE(SODIUM 2-METHYL-2-PROPANETHIOLATE) | 029364-29-2 | 5,147,913 | sodium 2-methylpropane-2-thiolate | CC(C)(C)[S-].[Na+] | InChI=1S/C4H10S.Na/c1-4(2,3)5;/h5H,1-3H3;/q;+1/p-1 | TUZFIWBNGKNFPW-UHFFFAOYSA-M | C4H9NaS | 112.17 | 112.032266 | null | 1 | 29 | 0 | 0 | 1 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TETRABUTYLAMMONIUM BIS((TRIFLUOROMETHYL)SULFONYL)AMIDE | 210230-40-3 | 16,218,632 | bis(trifluoromethylsulfonyl)azanide;tetrabutylazanium | CCCC[N+](CCCC)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F | InChI=1S/C16H36N.C2F6NO4S2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-16H2,1-4H3;/q+1;-1 | CFAPFDTWIGBCQK-UHFFFAOYSA-N | C18H36F6N2O4S2 | 522.6 | 522.202069 | null | 86 | 490 | 0 | 0 | 11 | 14 | 32 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
9-OCTADECENAMIDE, N-[3-(DIMETHYLAMINO)PROPYL]-, (Z)- | 000109-28-4 | 6,436,063 | (Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide | CCCCCCCC/C=C\CCCCCCCC(=O)NCCCN(C)C | InChI=1S/C23H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h11-12H,4-10,13-22H2,1-3H3,(H,24,26)/b12-11- | UCWYGNTYSWIDSW-QXMHVHEDSA-N | C23H46N2O | 366.6 | 366.361014 | 7.4 | 32.3 | 326 | 0 | 1 | 2 | 19 | 26 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
1,4-PENTANEDIAMINE, N1,N1-DIETHYL- | 000140-80-7 | 78,953 | 1-N,1-N-diethylpentane-1,4-diamine | CCN(CC)CCCC(C)N | InChI=1S/C9H22N2/c1-4-11(5-2)8-6-7-9(3)10/h9H,4-8,10H2,1-3H3 | CAPCBAYULRXQAN-UHFFFAOYSA-N | C9H22N2 | 158.28 | 158.178299 | 1.2 | 29.3 | 79 | 0 | 1 | 2 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
OXONIUM, TRIETHYL-, TETRAFLUOROBORATE(1-) | 000368-39-8 | 2,723,982 | triethyloxidanium tetrafluoroborate | [B-](F)(F)(F)F.CC[O+](CC)CC | InChI=1S/C6H15O.BF4/c1-4-7(5-2)6-3;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1 | IYDQMLLDOVRSJJ-UHFFFAOYSA-N | C6H15BF4O | 189.99 | 190.115208 | null | 1 | 44 | 0 | 0 | 5 | 3 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTANEDIOIC ACID, TETRAFLUORO- | 000377-38-8 | 67,833 | 2,2,3,3-tetrafluorobutanedioic acid | C(=O)(C(C(C(=O)O)(F)F)(F)F)O | InChI=1S/C4H2F4O4/c5-3(6,1(9)10)4(7,8)2(11)12/h(H,9,10)(H,11,12) | YUDUFRYTKFGQCL-UHFFFAOYSA-N | C4H2F4O4 | 190.05 | 189.988921 | 0.7 | 74.6 | 199 | 0 | 2 | 8 | 3 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
METHANEDISULFONIC ACID | 000503-40-2 | 10,427 | methanedisulfonic acid | C(S(=O)(=O)O)S(=O)(=O)O | InChI=1S/CH4O6S2/c2-8(3,4)1-9(5,6)7/h1H2,(H,2,3,4)(H,5,6,7) | OPUAWDUYWRUIIL-UHFFFAOYSA-N | CH4O6S2 | 176.17 | 175.94493 | -1.9 | 126 | 225 | 0 | 2 | 6 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, HYDROXIDE | 000505-86-2 | 68,166 | hexadecyl(trimethyl)azanium hydroxide | CCCCCCCCCCCCCCCC[N+](C)(C)C.[OH-] | InChI=1S/C19H42N.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H2/q+1;/p-1 | WJLUBOLDZCQZEV-UHFFFAOYSA-M | C19H43NO | 301.6 | 301.334465 | null | 1 | 181 | 0 | 1 | 1 | 15 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CARBONOTRITHIOIC ACID, DISODIUM SALT | 000534-18-9 | 101,753 | disodium;carbonotrithioate | C(=S)([S-])[S-].[Na+].[Na+] | InChI=1S/CH2S3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2 | USAIOOFEIMNEDN-UHFFFAOYSA-L | CNa2S3 | 154.2 | 153.895752 | null | 34.1 | 18 | 0 | 0 | 3 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-BUTENOIC ACID, 3-METHYL- | 000541-47-9 | 10,931 | 3-methylbut-2-enoic acid | CC(=CC(=O)O)C | InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7) | YYPNJNDODFVZLE-UHFFFAOYSA-N | C5H8O2 | 100.12 | 100.05243 | 1.2 | 37.3 | 98 | 0 | 1 | 2 | 1 | 7 | null | 195.00 to 197.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ACETYL FLUORIDE | 000557-99-3 | 11,204 | acetyl fluoride | CC(=O)F | InChI=1S/C2H3FO/c1-2(3)4/h1H3 | JUCMRTZQCZRJDC-UHFFFAOYSA-N | C2H3FO | 62.04 | 62.016793 | 0.2 | 17.1 | 33 | 0 | 0 | 2 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SULFURIC ACID, DIPROPYL ESTER | 000598-05-0 | 69,015 | dipropyl sulfate | CCCOS(=O)(=O)OCCC | InChI=1S/C6H14O4S/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3 | JYCKNDWZDXGNBW-UHFFFAOYSA-N | C6H14O4S | 182.24 | 182.06128 | 1.5 | 61 | 154 | 0 | 0 | 4 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TETRADECANOIC ACID, ANHYDRIDE | 000626-29-9 | 69,377 | tetradecanoyl tetradecanoate | CCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCC | InChI=1S/C28H54O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(29)31-28(30)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3 | RCRYHUPTBJZEQS-UHFFFAOYSA-N | C28H54O3 | 438.7 | 438.407296 | 12.4 | 43.4 | 356 | 0 | 0 | 3 | 26 | 31 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETIC ACID, (ETHYLTHIO)- | 000627-04-3 | 69,387 | 2-ethylsulfanylacetic acid | CCSCC(=O)O | InChI=1S/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6) | VJIKFWJCVWFZIN-UHFFFAOYSA-N | C4H8O2S | 120.17 | 120.024501 | 0.8 | 62.6 | 62 | 0 | 1 | 3 | 3 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
Hexanoic acid, 5-methyl- | 000628-46-6 | 12,344 | 5-methylhexanoic acid | CC(C)CCCC(=O)O | InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9) | MHPUGCYGQWGLJL-UHFFFAOYSA-N | C7H14O2 | 130.18 | 130.09938 | 2.2 | 37.3 | 86 | 0 | 1 | 2 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PROPANEDIOIC ACID, DIBROMO-, DIETHYL ESTER | 000631-22-1 | 69,427 | diethyl 2,2-dibromopropanedioate | CCOC(=O)C(C(=O)OCC)(Br)Br | InChI=1S/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3 | PFZYFZRUPFUEOB-UHFFFAOYSA-N | C7H10Br2O4 | 317.96 | 317.89253 | 2.4 | 52.6 | 183 | 0 | 0 | 4 | 6 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIS(2-HYDROXYETHYL)-, HYDROXIDE | 000631-41-4 | 12,430 | tetrakis(2-hydroxyethyl)azanium hydroxide | C(CO)[N+](CCO)(CCO)CCO.[OH-] | InChI=1S/C8H20NO4.H2O/c10-5-1-9(2-6-11,3-7-12)4-8-13;/h10-13H,1-8H2;1H2/q+1;/p-1 | VHLDQAOFSQCOFS-UHFFFAOYSA-M | C8H21NO5 | 211.26 | 211.141973 | null | 81.9 | 91 | 0 | 5 | 5 | 8 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETAMIDE, 2,2,2-TRIFLUORO-N-[(TRIFLUOROACETYL)OXY]- | 000684-78-6 | 69,634 | [(2,2,2-trifluoroacetyl)amino] 2,2,2-trifluoroacetate | C(=O)(C(F)(F)F)NOC(=O)C(F)(F)F | InChI=1S/C4HF6NO3/c5-3(6,7)1(12)11-14-2(13)4(8,9)10/h(H,11,12) | CYSAMXITKBXZOP-UHFFFAOYSA-N | C4HF6NO3 | 225.05 | 224.986062 | 1.9 | 55.4 | 242 | 0 | 1 | 9 | 2 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PHOSPHORIC ACID, MONOMETHYL ESTER | 000812-00-0 | 13,130 | methyl dihydrogen phosphate | COP(=O)(O)O | InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4) | CAAULPUQFIIOTL-UHFFFAOYSA-N | CH5O4P | 112.02 | 111.992546 | -1.6 | 66.8 | 71 | 0 | 2 | 4 | 1 | 6 | greater than 220 °F (NTP, 1992) | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTANOIC ACID, 3,3-DIMETHYL-2-OXO- | 000815-17-8 | 13,150 | 3,3-dimethyl-2-oxobutanoic acid | CC(C)(C)C(=O)C(=O)O | InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9) | IAWVHZJZHDSEOC-UHFFFAOYSA-N | C6H10O3 | 130.14 | 130.062994 | 1.1 | 54.4 | 141 | 0 | 1 | 3 | 2 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-BUTENEDIOIC ACID (Z)-, MONOBUTYL ESTER | 000925-21-3 | 5,356,726 | (Z)-4-butoxy-4-oxobut-2-enoic acid | CCCCOC(=O)/C=C\C(=O)O | InChI=1S/C8H12O4/c1-2-3-6-12-8(11)5-4-7(9)10/h4-5H,2-3,6H2,1H3,(H,9,10)/b5-4- | UTOVMEACOLCUCK-PLNGDYQASA-N | C8H12O4 | 172.18 | 172.073559 | 1.1 | 63.6 | 183 | 0 | 1 | 4 | 6 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
SILANE, CHLOROTRIPROPYL- | 000995-25-5 | 70,445 | chloro(tripropyl)silane | CCC[Si](CCC)(CCC)Cl | InChI=1S/C9H21ClSi/c1-4-7-11(10,8-5-2)9-6-3/h4-9H2,1-3H3 | ACTAPAGNZPZLEF-UHFFFAOYSA-N | C9H21ClSi | 192.8 | 192.110105 | null | 0 | 76 | 0 | 0 | 0 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PHOSPHORIC ACID, MONO(2-ETHYLHEXYL) ESTER | 001070-03-7 | 14,050 | 2-ethylhexyl dihydrogen phosphate | CCCCC(CC)COP(=O)(O)O | InChI=1S/C8H19O4P/c1-3-5-6-8(4-2)7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11) | LJKDOMVGKKPJBH-UHFFFAOYSA-N | C8H19O4P | 210.21 | 210.102096 | 1.6 | 66.8 | 166 | 0 | 2 | 4 | 7 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-HEXENOIC ACID | 001191-04-4 | 14,486 | hex-2-enoic acid | CCCC=CC(=O)O | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8) | NIONDZDPPYHYKY-UHFFFAOYSA-N | C6H10O2 | 114.14 | 114.06808 | 1.6 | 37.3 | 94 | 0 | 1 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRICHLORO(CHLOROMETHYL)SILANE | 001558-25-4 | 15,258 | trichloro(chloromethyl)silane | C([Si](Cl)(Cl)Cl)Cl | InChI=1S/CH2Cl4Si/c2-1-6(3,4)5/h1H2 | FYTPGBJPTDQJCG-UHFFFAOYSA-N | CH2Cl4Si | 183.9 | 183.865037 | null | 0 | 37 | 0 | 0 | 0 | 0 | 6 | Flash point: 157 °F (69 °C) | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3-HEXENOIC ACID, (E)- | 001577-18-0 | 5,282,708 | (E)-hex-3-enoic acid | CC/C=C/CC(=O)O | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+ | XXHDAWYDNSXJQM-ONEGZZNKSA-N | C6H10O2 | 114.14 | 114.06808 | 1.2 | 37.3 | 94 | 0 | 1 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3-OCTENOIC ACID | 001577-19-1 | 15,307 | oct-3-enoic acid | CCCCC=CCC(=O)O | InChI=1S/C8H14O2/c1-2-3-4-5-6-7-8(9)10/h5-6H,2-4,7H2,1H3,(H,9,10) | IWPOSDLLFZKGOW-UHFFFAOYSA-N | C8H14O2 | 142.2 | 142.09938 | 2.3 | 37.3 | 116 | 0 | 1 | 2 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PROPANOIC ACID, 3-CHLORO-2-HYDROXY- | 001713-85-5 | 92,899 | 3-chloro-2-hydroxypropanoic acid | C(C(C(=O)O)O)Cl | InChI=1S/C3H5ClO3/c4-1-2(5)3(6)7/h2,5H,1H2,(H,6,7) | OSLCJYYQMKPZHU-UHFFFAOYSA-N | C3H5ClO3 | 124.52 | 123.992722 | -0.2 | 57.5 | 72 | 0 | 2 | 3 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHONITRILE CHLORIDE | 001832-07-1 | 74,596 | azanylidyne(dichloro)-lambda5-phosphane | N#P(Cl)Cl | InChI=1S/Cl2NP/c1-4(2)3 | UXJHQBVRZUANLK-UHFFFAOYSA-N | Cl2NP | 115.88 | 114.914541 | null | 23.8 | 58 | 0 | 0 | 1 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
OCTANOIC ACID, SODIUM SALT | 001984-06-1 | 23,664,772 | sodium octanoate | CCCCCCCC(=O)[O-].[Na+] | InChI=1S/C8H16O2.Na/c1-2-3-4-5-6-7-8(9)10;/h2-7H2,1H3,(H,9,10);/q;+1/p-1 | BYKRNSHANADUFY-UHFFFAOYSA-M | C8H15NaO2 | 166.19 | 166.096974 | null | 40.1 | 94 | 0 | 0 | 2 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORODITHIOIC ACID, O,O-DIBUTYL ESTER | 002253-44-3 | 35,228 | dibutoxy-sulfanyl-sulfanylidene-lambda5-phosphane | CCCCOP(=S)(OCCCC)S | InChI=1S/C8H19O2PS2/c1-3-5-7-9-11(12,13)10-8-6-4-2/h3-8H2,1-2H3,(H,12,13) | XPRULOZMJZDZEF-UHFFFAOYSA-N | C8H19O2PS2 | 242.3 | 242.056409 | 4.2 | 51.6 | 150 | 0 | 1 | 4 | 8 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, MONOPENTYL ESTER | 002382-76-5 | 61,572 | pentyl dihydrogen phosphate | CCCCCOP(=O)(O)O | InChI=1S/C5H13O4P/c1-2-3-4-5-9-10(6,7)8/h2-5H2,1H3,(H2,6,7,8) | NVTPMUHPCAUGCB-UHFFFAOYSA-N | C5H13O4P | 168.13 | 168.055146 | 0.2 | 66.8 | 119 | 0 | 2 | 4 | 5 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-BUTANOL, 3-METHYL-, DIHYDROGEN PHOSPHATE | 002466-67-3 | 75,573 | 3-methylbutyl dihydrogen phosphate | CC(C)CCOP(=O)(O)O | InChI=1S/C5H13O4P/c1-5(2)3-4-9-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8) | WCWLEIAMBPYRFJ-UHFFFAOYSA-N | C5H13O4P | 168.13 | 168.055146 | 0.1 | 66.8 | 128 | 0 | 2 | 4 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-TETRADECANAMINIUM, N-(CARBOXYMETHYL)-N,N-DIMETHYL-, INNER SALT | 002601-33-4 | 64,672 | 2-[dimethyl(tetradecyl)azaniumyl]acetate | CCCCCCCCCCCCCC[N+](C)(C)CC(=O)[O-] | InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(2,3)17-18(20)21/h4-17H2,1-3H3 | KKMIHKCGXQMFEU-UHFFFAOYSA-N | C18H37NO2 | 299.5 | 299.282429 | 7.2 | 40.1 | 246 | 0 | 0 | 2 | 14 | 21 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
OCTANOIC ACID, 2-METHYL- | 003004-93-1 | 94,251 | 2-methyloctanoic acid | CCCCCCC(C)C(=O)O | InChI=1S/C9H18O2/c1-3-4-5-6-7-8(2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11) | YSEQNZOXHCKLOG-UHFFFAOYSA-N | C9H18O2 | 158.24 | 158.13068 | 3.4 | 37.3 | 110 | 0 | 1 | 2 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, DIOCTADECYL ESTER | 003037-89-6 | 76,433 | dioctadecyl hydrogen phosphate | CCCCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCCCC | InChI=1S/C36H75O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-41(37,38)40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,37,38) | FRXGWNKDEMTFPL-UHFFFAOYSA-N | C36H75O4P | 603 | 602.540298 | 16.6 | 55.8 | 486 | 0 | 1 | 4 | 36 | 41 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, DIOCTYL ESTER | 003115-39-7 | 76,563 | dioctyl hydrogen phosphate | CCCCCCCCOP(=O)(O)OCCCCCCCC | InChI=1S/C16H35O4P/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H,17,18) | HTDKEJXHILZNPP-UHFFFAOYSA-N | C16H35O4P | 322.42 | 322.227297 | 5.8 | 55.8 | 237 | 0 | 1 | 4 | 16 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTANOIC ACID, 2-BROMO-, METHYL ESTER | 003196-15-4 | 95,577 | methyl 2-bromobutanoate | CCC(C(=O)OC)Br | InChI=1S/C5H9BrO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3 | UFQQDNMQADCHGH-UHFFFAOYSA-N | C5H9BrO2 | 181.03 | 179.97859 | 1.8 | 26.3 | 82 | 0 | 0 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, MONOHEXYL ESTER | 003900-04-7 | 19,787 | hexyl dihydrogen phosphate | CCCCCCOP(=O)(O)O | InChI=1S/C6H15O4P/c1-2-3-4-5-6-10-11(7,8)9/h2-6H2,1H3,(H2,7,8,9) | PHNWGDTYCJFUGZ-UHFFFAOYSA-N | C6H15O4P | 182.15 | 182.070796 | 0.8 | 66.8 | 131 | 0 | 2 | 4 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, MONOOCTYL ESTER | 003991-73-9 | 19,892 | octyl dihydrogen phosphate | CCCCCCCCOP(=O)(O)O | InChI=1S/C8H19O4P/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11) | WRKCIHRWQZQBOL-UHFFFAOYSA-N | C8H19O4P | 210.21 | 210.102096 | 1.9 | 66.8 | 154 | 0 | 2 | 4 | 8 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETYL CHLORIDE, (CHLOROSULFONYL)- | 004025-77-8 | 77,642 | 2-chlorosulfonylacetyl chloride | C(C(=O)Cl)S(=O)(=O)Cl | InChI=1S/C2H2Cl2O3S/c3-2(5)1-8(4,6)7/h1H2 | MCFSNYMQISXQTF-UHFFFAOYSA-N | C2H2Cl2O3S | 177.01 | 175.910171 | 1 | 59.6 | 176 | 0 | 0 | 3 | 2 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PROPANOYL FLUORIDE, 2,3,3,3-TETRAFLUORO-2-[1,1,2,2-TETRAFLUORO-2-(FLUOROSULFON | 004089-57-0 | 107,222 | 2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoyl fluoride | C(=O)(C(C(F)(F)F)(OC(C(F)(F)S(=O)(=O)F)(F)F)F)F | InChI=1S/C5F10O4S/c6-1(16)2(7,3(8,9)10)19-4(11,12)5(13,14)20(15,17)18 | JJMSFRPBSYTEIN-UHFFFAOYSA-N | C5F10O4S | 346.1 | 345.935761 | 3 | 68.8 | 489 | 0 | 0 | 14 | 5 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3-NONENOIC ACID | 004124-88-3 | 107,507 | non-3-enoic acid | CCCCCC=CCC(=O)O | InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h6-7H,2-5,8H2,1H3,(H,10,11) | ZBPYTVBKHKUNHG-UHFFFAOYSA-N | C9H16O2 | 156.22 | 156.11503 | 2.8 | 37.3 | 128 | 0 | 1 | 2 | 6 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3-HEXENOIC ACID | 004219-24-3 | 20,200 | hex-3-enoic acid | CCC=CCC(=O)O | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8) | XXHDAWYDNSXJQM-UHFFFAOYSA-N | C6H10O2 | 114.14 | 114.06808 | 1.2 | 37.3 | 94 | 0 | 1 | 2 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
GLYCINE, N-METHYL-, MONOSODIUM SALT | 004316-73-8 | 23,667,259 | sodium 2-(methylamino)acetate | CNCC(=O)[O-].[Na+] | InChI=1S/C3H7NO2.Na/c1-4-2-3(5)6;/h4H,2H2,1H3,(H,5,6);/q;+1/p-1 | ZUFONQSOSYEWCN-UHFFFAOYSA-M | C3H6NNaO2 | 111.08 | 111.029623 | null | 52.2 | 56 | 0 | 1 | 3 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHANESULFONIC ACID, 2-(METHYLAMINO)-, MONOSODIUM SALT | 004316-74-9 | 23,684,896 | sodium 2-(methylamino)ethanesulfonate | CNCCS(=O)(=O)[O-].[Na+] | InChI=1S/C3H9NO3S.Na/c1-4-2-3-8(5,6)7;/h4H,2-3H2,1H3,(H,5,6,7);/q;+1/p-1 | KKDONKAYVYTWGY-UHFFFAOYSA-M | C3H8NNaO3S | 161.16 | 161.012259 | null | 77.6 | 138 | 0 | 1 | 4 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETIC ACID, BIS[(1-OXO-2-PROPENYL)AMINO]- | 004387-85-3 | 78,096 | 2,2-bis(prop-2-enoylamino)acetic acid | C=CC(=O)NC(C(=O)O)NC(=O)C=C | InChI=1S/C8H10N2O4/c1-3-5(11)9-7(8(13)14)10-6(12)4-2/h3-4,7H,1-2H2,(H,9,11)(H,10,12)(H,13,14) | LVKKFNORSNCNPP-UHFFFAOYSA-N | C8H10N2O4 | 198.18 | 198.064057 | -0.2 | 95.5 | 263 | 0 | 3 | 4 | 5 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-PENTANAMINIUM, N,N,N-TRIPENTYL-, CHLORIDE | 004965-17-7 | 78,667 | tetrapentylazanium chloride | CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Cl-] | InChI=1S/C20H44N.ClH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1 | SXAWRMKQZKPHNJ-UHFFFAOYSA-M | C20H44ClN | 334 | 333.316228 | null | 0 | 155 | 0 | 0 | 1 | 16 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
1-TRIDECANOL, DIHYDROGEN PHOSPHATE | 005116-94-9 | 82,161 | tridecyl dihydrogen phosphate | CCCCCCCCCCCCCOP(=O)(O)O | InChI=1S/C13H29O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(14,15)16/h2-13H2,1H3,(H2,14,15,16) | GAJQCIFYLSXSEZ-UHFFFAOYSA-N | C13H29O4P | 280.34 | 280.180346 | 4.6 | 66.8 | 215 | 0 | 2 | 4 | 13 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTANEDIOIC ACID, SULFO- | 005138-18-1 | 21,220 | 2-sulfobutanedioic acid | C(C(C(=O)O)S(=O)(=O)O)C(=O)O | InChI=1S/C4H6O7S/c5-3(6)1-2(4(7)8)12(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11) | ULUAUXLGCMPNKK-UHFFFAOYSA-N | C4H6O7S | 198.15 | 197.983424 | -1.8 | 137 | 283 | 0 | 3 | 7 | 4 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETIC ACID, SULFO-, DISODIUM SALT | 005462-60-2 | 79,586 | disodium;2-sulfonatoacetate | C(C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] | InChI=1S/C2H4O5S.2Na/c3-2(4)1-8(5,6)7;;/h1H2,(H,3,4)(H,5,6,7);;/q;2*+1/p-2 | BMDIYDZEBRJMPF-UHFFFAOYSA-L | C2H2Na2O5S | 184.08 | 183.941833 | null | 106 | 152 | 0 | 0 | 5 | 0 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PHOSPHONIC ACID, DECYL- | 006874-60-8 | 81,309 | decylphosphonic acid | CCCCCCCCCCP(=O)(O)O | InChI=1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13) | DZQISOJKASMITI-UHFFFAOYSA-N | C10H23O3P | 222.26 | 222.138482 | 2.9 | 57.5 | 165 | 0 | 2 | 3 | 9 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, DIDODECYL ESTER | 007057-92-3 | 23,467 | didodecyl hydrogen phosphate | CCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCC | InChI=1S/C24H51O4P/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26) | JTXUVYOABGUBMX-UHFFFAOYSA-N | C24H51O4P | 434.6 | 434.352497 | 10.2 | 55.8 | 333 | 0 | 1 | 4 | 24 | 29 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
9,12-OCTADECADIENOYL CHLORIDE, (Z,Z)- | 007459-33-8 | 9,817,754 | (9Z,12Z)-octadeca-9,12-dienoyl chloride | CCCCC/C=C\C/C=C\CCCCCCCC(=O)Cl | InChI=1S/C18H31ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3/b7-6-,10-9- | FBWMYSQUTZRHAT-HZJYTTRNSA-N | C18H31ClO | 298.9 | 298.206343 | 7.6 | 17.1 | 269 | 0 | 0 | 1 | 14 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORANE, PENTABROMO- | 007789-69-7 | 62,678 | pentabromo-lambda5-phosphane | P(Br)(Br)(Br)(Br)Br | InChI=1S/Br5P/c1-6(2,3,4)5 | QRKVRHZNLKTPGF-UHFFFAOYSA-N | Br5P | 430.49 | 429.56135 | 4.7 | 0 | 37 | 0 | 0 | 0 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PLATINUM IODIDE (PTI4), (SP-4-1)- | 007790-46-7 | 82,254 | platinum(4+) tetraiodide | [I-].[I-].[I-].[I-].[Pt+4] | InChI=1S/4HI.Pt/h4*1H;/q;;;;+4/p-4 | RNJPWBVOCUGBGY-UHFFFAOYSA-J | I4Pt | 702.7 | 702.5827 | null | 0 | 0 | 0 | 0 | 4 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILICIC ACID (H2SIO3), DIPOTASSIUM SALT | 010006-28-7 | 66,200 | dipotassium;dioxido(oxo)silane | [O-][Si](=O)[O-].[K+].[K+] | InChI=1S/2K.O3Si/c;;1-4(2)3/q2*+1;-2 | NNHHDJVEYQHLHG-UHFFFAOYSA-N | K2O3Si | 154.28 | 153.889083 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1-PROPANESULFONYL CHLORIDE | 010147-36-1 | 66,279 | propane-1-sulfonyl chloride | CCCS(=O)(=O)Cl | InChI=1S/C3H7ClO2S/c1-2-3-7(4,5)6/h2-3H2,1H3 | KPBSJEBFALFJTO-UHFFFAOYSA-N | C3H7ClO2S | 142.61 | 141.985528 | 1.3 | 42.5 | 120 | 0 | 0 | 2 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-PENTENOIC ACID, 4-METHYL- | 010321-71-8 | 12,216,200 | (Z)-4-methylpent-2-enoic acid | CC(C)/C=C\C(=O)O | InChI=1S/C6H10O2/c1-5(2)3-4-6(7)8/h3-5H,1-2H3,(H,7,8)/b4-3- | QAOXMQCWUWZZNC-ARJAWSKDSA-N | C6H10O2 | 114.14 | 114.06808 | 1.4 | 37.3 | 103 | 0 | 1 | 2 | 2 | 8 | null | 203.00 to 204.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SULFURIC ACID, TITANIUM(3+) SALT (3:2) | 010343-61-0 | 165,866 | bis(titanium(3+));trisulfate | [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ti+3].[Ti+3] | InChI=1S/3H2O4S.2Ti/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6 | SOBXOQKKUVQETK-UHFFFAOYSA-H | O12S3Ti2 | 383.9 | 383.75107 | null | 266 | 62 | 0 | 0 | 12 | 0 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DISTANNOXANE, 1,1,3,3-TETRABUTYL-1,3-DICHLORO- | 010428-19-0 | 16,682,755 | dibutyl-chloro-[dibutyl(chloro)stannyl]oxystannane | CCCC[Sn](CCCC)(O[Sn](CCCC)(CCCC)Cl)Cl | InChI=1S/4C4H9.2ClH.O.2Sn/c4*1-3-4-2;;;;;/h4*1,3-4H2,2H3;2*1H;;;/q;;;;;;;2*+1/p-2 | MWFOVBOCPFXQMF-UHFFFAOYSA-L | C16H36Cl2OSn2 | 552.8 | 552.01813 | null | 9.2 | 212 | 0 | 0 | 1 | 14 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SULFUR CHLORIDE (SCL2) | 010545-99-0 | 25,353 | chloro thiohypochlorite | S(Cl)Cl | InChI=1S/Cl2S/c1-3-2 | FWMUJAIKEJWSSY-UHFFFAOYSA-N | Cl2S | 102.97 | 101.909777 | 2 | 25.3 | 2 | 0 | 0 | 1 | 0 | 3 | 245 °F (118 °C) (open cup) | 59 °C | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ALUMINATE (ALO21-), POTASSIUM | 012003-63-3 | 23,670,858 | potassium oxido(oxo)alumane | [O-][Al]=O.[K+] | InChI=1S/Al.K.2O/q;+1;;-1 | KVOIJEARBNBHHP-UHFFFAOYSA-N | AlKO2 | 98.079 | 97.935074 | null | 40.1 | 13 | 0 | 0 | 2 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TITANATE (TIO32-), DISODIUM | 012034-34-3 | 160,970 | disodium;tris(oxygen(2-));titanium(4+) | [O-2].[O-2].[O-2].[Na+].[Na+].[Ti+4] | InChI=1S/2Na.3O.Ti/q2*+1;3*-2;+4 | LJUBBLNHYXJKSN-UHFFFAOYSA-N | Na2O3Ti | 141.845 | 141.912223 | null | 3 | 0 | 0 | 0 | 3 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
STANNATE (SNO32-), DISODIUM | 012058-66-1 | 25,501 | disodium;dioxido(oxo)tin | [O-][Sn](=O)[O-].[Na+].[Na+] | InChI=1S/2Na.3O.Sn/q2*+1;;2*-1; | TVQLLNFANZSCGY-UHFFFAOYSA-N | Na2O3Sn | 212.69 | 213.866485 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PHOSPHORIC ACID, ISOOCTYL ESTER | 012645-53-3 | 106,625 | 6-methylheptyl dihydrogen phosphate | CC(C)CCCCCOP(=O)(O)O | InChI=1S/C8H19O4P/c1-8(2)6-4-3-5-7-12-13(9,10)11/h8H,3-7H2,1-2H3,(H2,9,10,11) | RQINQJTUMGQYOB-UHFFFAOYSA-N | C8H19O4P | 210.21 | 210.102096 | 1.6 | 66.8 | 164 | 0 | 2 | 4 | 7 | 13 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, DODECYL ESTER | 012751-23-4 | 1,550,836 | dodecyl phosphate | CCCCCCCCCCCCOP(=O)([O-])[O-] | InChI=1S/C12H27O4P/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h2-12H2,1H3,(H2,13,14,15)/p-2 | TVACALAUIQMRDF-UHFFFAOYSA-L | C12H25O4P-2 | 264.3 | 264.149046 | 3.9 | 72.4 | 191 | -2 | 0 | 4 | 11 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ACETIC ACID, TRIANHYDRIDE WITH SILICIC ACID (H4SIO4) MONO(1,1-DIMETHYLETHYL) E | 013170-22-4 | 83,198 | [diacetyloxy-[(2-methylpropan-2-yl)oxy]silyl] acetate | CC(=O)O[Si](OC(=O)C)(OC(=O)C)OC(C)(C)C | InChI=1S/C10H18O7Si/c1-7(11)14-18(15-8(2)12,16-9(3)13)17-10(4,5)6/h1-6H3 | JCFIEFCORBGQHK-UHFFFAOYSA-N | C10H18O7Si | 278.33 | 278.082179 | null | 88.1 | 304 | 0 | 0 | 7 | 8 | 18 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-HEXENOIC ACID, (E)- | 013419-69-7 | 5,282,707 | (E)-hex-2-enoic acid | CCC/C=C/C(=O)O | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4+ | NIONDZDPPYHYKY-SNAWJCMRSA-N | C6H10O2 | 114.14 | 114.06808 | 1.6 | 37.3 | 94 | 0 | 1 | 2 | 3 | 8 | null | 217.00 °C. @ 760.00 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
GERMANE, TETRAIODO- | 013450-95-8 | 83,479 | tetraiodogermane | [Ge](I)(I)(I)I | InChI=1S/GeI4/c2-1(3,4)5 | CUDGTZJYMWAJFV-UHFFFAOYSA-N | GeI4 | 580.25 | 581.5391 | null | 0 | 19 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HYPODIPHOSPHOROUS TETRAIODIDE | 013455-00-0 | 83,484 | diiodophosphanyl(diiodo)phosphane | P(P(I)I)(I)I | InChI=1S/I4P2/c1-5(2)6(3)4 | YXXQTQYRRHHWFL-UHFFFAOYSA-N | I4P2 | 569.5654 | 569.5654 | 3.2 | 0 | 26 | 0 | 0 | 0 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILANE, BROMOTRICHLORO- | 013465-74-2 | 83,496 | bromo(trichloro)silane | [Si](Cl)(Cl)(Cl)Br | InChI=1S/BrCl3Si/c1-5(2,3)4 | GGQKEDHYWOIABV-UHFFFAOYSA-N | BrCl3Si | 214.34 | 211.80182 | null | 0 | 28 | 0 | 0 | 0 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TITANIUM FLUORIDE (TIF3) | 013470-08-1 | 83,506 | trifluorotitanium | F[Ti](F)F | InChI=1S/3FH.Ti/h3*1H;/q;;;+3/p-3 | NLPMQGKZYAYAFE-UHFFFAOYSA-K | F3Ti | 104.862 | 104.94315 | null | 0 | 8 | 0 | 0 | 3 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRISILANE, OCTACHLORO- | 013596-23-1 | 83,601 | trichloro-[dichloro(trichlorosilyl)silyl]silane | [Si]([Si](Cl)(Cl)Cl)([Si](Cl)(Cl)Cl)(Cl)Cl | InChI=1S/Cl8Si3/c1-9(2,3)11(7,8)10(4,5)6 | PZKOFHKJGUNVTM-UHFFFAOYSA-N | Cl8Si3 | 367.9 | 367.675701 | null | 0 | 120 | 0 | 0 | 0 | 0 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORODIFLUORIDIC ACID | 013779-41-4 | 61,681 | difluorophosphinic acid | OP(=O)(F)F | InChI=1S/F2HO2P/c1-5(2,3)4/h(H,3,4) | DGTVXEHQMSJRPE-UHFFFAOYSA-N | F2HO2P | 101.977 | 101.968223 | 0 | 37.3 | 62 | 0 | 1 | 4 | 0 | 5 | null | 241 °F at 760 mmHg (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
NIOBIUM IODIDE (NBI5) | 013779-92-5 | 83,728 | pentaiodoniobium | [Nb](I)(I)(I)(I)I | InChI=1S/5HI.Nb/h5*1H;/q;;;;;+5/p-5 | FWIYBTVHGYLSAZ-UHFFFAOYSA-I | I5Nb | 727.4287 | 727.4287 | null | 0 | 37 | 0 | 0 | 0 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ZIRCONIUM IODIDE (ZRI4) | 013986-26-0 | 84,133 | zirconium(4+) tetraiodide | [Zr+4].[I-].[I-].[I-].[I-] | InChI=1S/4HI.Zr/h4*1H;/q;;;;+4/p-4 | XLMQAUWIRARSJG-UHFFFAOYSA-J | I4Zr | 598.84 | 597.5226 | null | 0 | 0 | 0 | 0 | 4 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
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