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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PERCHLORIC ACID, NICKEL(2+) SALT | 013637-71-3 | 26,158 | nickel(2+) diperchlorate | [O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ni+2] | InChI=1S/2ClHO4.Ni/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2 | ZLQBNKOPBDZKDP-UHFFFAOYSA-L | Cl2NiO8 | 257.59 | 255.832364 | null | 149 | 95 | 0 | 0 | 8 | 0 | 11 | null | null | 1 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 0 |
HYDRIODIC ACID (SOLUTIONS ONLY) | 010034-85-2 | 24,841 | iodane | I | InChI=1S/HI/h1H | XMBWDFGMSWQBCA-UHFFFAOYSA-N | HI | 127.9124 | 127.9123 | 0.9 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | null | -35.1 °C at 760 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BORON TRIFLUORIDE | 007637-07-2 | 6,356 | trifluoroborane | B(F)(F)F | InChI=1S/BF3/c2-1(3)4 | WTEOIRVLGSZEPR-UHFFFAOYSA-N | BF3 | 67.81 | 68.004515 | null | 0 | 8 | 0 | 0 | 3 | 0 | 4 | null | -148 °F at 760 mmHg (NIOSH, 2024) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HYDROGEN BROMIDE, ANHYDROUS | 010035-10-6 | 260 | bromane | Br | InChI=1S/BrH/h1H | CPELXLSAUQHCOX-UHFFFAOYSA-N | BrH | 80.91 | 79.92616 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | null | -88.2 °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 | 1 |
PHOSGENE | 000075-44-5 | 6,371 | carbonyl dichloride | C(=O)(Cl)Cl | InChI=1S/CCl2O/c2-1(3)4 | YGYAWVDWMABLBF-UHFFFAOYSA-N | CCl2O | 98.91 | 97.93262 | 1.8 | 17.1 | 29 | 0 | 0 | 1 | 0 | 4 | null | 47 °F at 760 mmHg (EPA, 1998) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
STANNIC CHLORIDE | 007646-78-8 | 24,287 | tetrachlorostannane | Cl[Sn](Cl)(Cl)Cl | InChI=1S/4ClH.Sn/h4*1H;/q;;;;+4/p-4 | HPGGPRDJHPYFRM-UHFFFAOYSA-J | Cl4Sn | 260.5 | 261.774663 | null | 0 | 19 | 0 | 0 | 0 | 0 | 5 | null | 114.15 °C | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BROMINE | 007726-95-6 | 24,408 | molecular bromine | BrBr | InChI=1S/Br2/c1-2 | GDTBXPJZTBHREO-UHFFFAOYSA-N | Br2 | 159.81 | 159.83463 | 1.9 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | null | 139.2 °F at 760 mmHg (EPA, 1998) | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
FLUOBORIC ACID | 016872-11-0 | 28,118 | hydron tetrafluoroborate | [H+].[B-](F)(F)(F)F | InChI=1S/BF4/c2-1(3,4)5/q-1/p+1 | ODGCEQLVLXJUCC-UHFFFAOYSA-O | BF4H | 87.82 | 88.010743 | null | 0 | 19 | 0 | 1 | 5 | 0 | 5 | null | 130 °C decomposes | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIFLUOROACETIC ACID | 000076-05-1 | 6,422 | 2,2,2-trifluoroacetic acid | C(=O)(C(F)(F)F)O | InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7) | DTQVDTLACAAQTR-UHFFFAOYSA-N | C2HF3O2 | 114.02 | 113.992864 | 0.9 | 37.3 | 83 | 0 | 1 | 5 | 0 | 7 | null | 72.4 °C | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM HYPOCHLORITE | 007681-52-9 | 23,665,760 | sodium hypochlorite | [O-]Cl.[Na+] | InChI=1S/ClO.Na/c1-2;/q-1;+1 | SUKJFIGYRHOWBL-UHFFFAOYSA-N | ClNaO | 74.44 | 73.953537 | null | 23.1 | 4 | 0 | 0 | 1 | 0 | 3 | null | Boiling point: 111 °C in solution | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
METHANESULFONIC ACID | 000075-75-2 | 6,395 | methanesulfonic acid | CS(=O)(=O)O | InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) | AFVFQIVMOAPDHO-UHFFFAOYSA-N | CH4O3S | 96.11 | 95.988115 | -0.9 | 62.8 | 92 | 0 | 1 | 3 | 0 | 5 | 110 °C | 167 °C at 10 mm Hg | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID | 007664-38-2 | 1,004 | phosphoric acid | OP(=O)(O)O | InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4) | NBIIXXVUZAFLBC-UHFFFAOYSA-N | H3O4P | 97.995 | 97.976896 | -2.1 | 77.8 | 49 | 0 | 3 | 4 | 0 | 5 | null | greater than 266 °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 |
SODIUM METASILICATE | 006834-92-0 | 23,266 | disodium;dioxido(oxo)silane | [O-][Si](=O)[O-].[Na+].[Na+] | InChI=1S/2Na.O3Si/c;;1-4(2)3/q2*+1;-2 | NTHWMYGWWRZVTN-UHFFFAOYSA-N | Na2O3Si | 122.063 | 121.941209 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 6 | null | BOILING POINT: 100 °C -6H20 /NONAHYDRATE/ | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEXAFLUOROSILICATE(2-), DIHYDROGEN | 016961-83-4 | 21,863,527 | hexafluorosilicon(2-);hydron | [H+].[H+].F[Si-2](F)(F)(F)(F)F | InChI=1S/F6Si/c1-7(2,3,4,5)6/q-2/p+2 | OHORFAFFMDIQRR-UHFFFAOYSA-P | F6H2Si | 144.091 | 143.982996 | null | 0 | 62 | 0 | 2 | 7 | 0 | 7 | null | 212 °F at 760 mmHg (water) approx. (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HYDROXYETHYLENEDIAMINE | 000111-41-1 | 8,112 | 2-(2-aminoethylamino)ethanol | C(CNCCO)N | InChI=1S/C4H12N2O/c5-1-2-6-3-4-7/h6-7H,1-5H2 | LHIJANUOQQMGNT-UHFFFAOYSA-N | C4H12N2O | 104.15 | 104.094963 | -1.7 | 58.3 | 32 | 0 | 3 | 3 | 4 | 7 | 216 °F (NTP, 1992) | 460 to 464 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 |
TITANIUM TETRACHLORIDE | 007550-45-0 | 24,193 | tetrachlorotitanium | Cl[Ti](Cl)(Cl)Cl | InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4 | XJDNKRIXUMDJCW-UHFFFAOYSA-J | Cl4Ti | 189.7 | 189.820401 | null | 0 | 19 | 0 | 0 | 0 | 0 | 5 | null | 277.5 °F at 760 mmHg (EPA, 1998) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PERFLUOROHEXANESULFONYL FLUORIDE | 000423-50-7 | 67,918 | 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl fluoride | C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F | InChI=1S/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22 | HSDJWNJDPDJOEV-UHFFFAOYSA-N | C6F14O2S | 402.11 | 401.939545 | 4.7 | 42.5 | 551 | 0 | 0 | 16 | 5 | 23 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
DIAMMONIUM SULFIDE | 012135-76-1 | 25,519 | diazanium;sulfide | [NH4+].[NH4+].[S-2] | InChI=1S/2H3N.S/h2*1H3;/q;;-2/p+2 | UYJXRRSPUVSSMN-UHFFFAOYSA-P | H8N2S | 68.15 | 68.040819 | null | 3 | 0 | 0 | 2 | 1 | 0 | 3 | 72 °F (USCG, 1999) | 104 °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 |
ANTIMONY PENTACHLORIDE | 007647-18-9 | 24,294 | pentachloro-lambda5-stibane | Cl[Sb](Cl)(Cl)(Cl)Cl | InChI=1S/5ClH.Sb/h5*1H;/q;;;;;+5/p-5 | VMPVEPPRYRXYNP-UHFFFAOYSA-I | Cl5Sb | 299 | 297.74512 | null | 0 | 37 | 0 | 0 | 0 | 0 | 6 | null | 347 °F at 760 mmHg (est.) (USCG, 1999) | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HEXADECYLAMINE | 000143-27-1 | 8,926 | hexadecan-1-amine | CCCCCCCCCCCCCCCCN | InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3 | FJLUATLTXUNBOT-UHFFFAOYSA-N | C16H35N | 241.46 | 241.27695 | 7.4 | 26 | 123 | 0 | 1 | 1 | 14 | 17 | 285 °F (NTP, 1992) | 613 °F at 760 mmHg (NTP, 1992) | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PENTAETHYLENEHEXAMINE | 004067-16-7 | 19,990 | N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine | C(CNCCNCCNCCNCCN)N | InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2 | LSHROXHEILXKHM-UHFFFAOYSA-N | C10H28N6 | 232.37 | 232.237545 | -3.4 | 100 | 108 | 0 | 6 | 6 | 13 | 16 | greater than 200 °F (NTP, 1992) | 662 to 734 °F at 760 mmHg (USCG, 1999) | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
TRIHEXYLTETRADECYLPHOSPHONIUM BIS(2,4,4-TRIMETHYLPENTYL)PHOSPHINATE | 465527-59-7 | 16,211,839 | bis(2,4,4-trimethylpentyl)phosphinate;trihexyl(tetradecyl)phosphanium | CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.CC(CC(C)(C)C)CP(=O)(CC(C)CC(C)(C)C)[O-] | InChI=1S/C32H68P.C16H35O2P/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;1-13(9-15(3,4)5)11-19(17,18)12-14(2)10-16(6,7)8/h5-32H2,1-4H3;13-14H,9-12H2,1-8H3,(H,17,18)/q+1;/p-1 | ZKQLVOZSJHOZBL-UHFFFAOYSA-M | C48H102O2P2 | 773.3 | 772.735507 | null | 40.1 | 593 | 0 | 0 | 2 | 36 | 52 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1-HEXADECANAMINIUM, N-ETHYL-N,N-DIMETHYL-, ETHYL SULFATE | 003006-10-8 | 68,650 | ethyl-hexadecyl-dimethylazanium;ethyl sulfate | CCCCCCCCCCCCCCCC[N+](C)(C)CC.CCOS(=O)(=O)[O-] | InChI=1S/C20H44N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-2-6-7(3,4)5/h5-20H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1 | UUHBNESUDPIHCI-UHFFFAOYSA-M | C22H49NO4S | 423.7 | 423.33823 | null | 74.8 | 302 | 0 | 0 | 4 | 17 | 28 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
AMMONIUM SULFITE | 010196-04-0 | 25,041 | diazanium;sulfite | [NH4+].[NH4+].[O-]S(=O)[O-] | InChI=1S/2H3N.H2O3S/c;;1-4(2)3/h2*1H3;(H2,1,2,3) | PQUCIEFHOVEZAU-UHFFFAOYSA-N | H8N2O3S | 116.14 | 116.025563 | null | 84.4 | 18 | 0 | 2 | 4 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N-BUTYRIC ACID | 000107-92-6 | 264 | butanoic acid | CCCC(=O)O | InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) | FERIUCNNQQJTOY-UHFFFAOYSA-N | C4H8O2 | 88.11 | 88.052429 | 0.8 | 37.3 | 49 | 0 | 1 | 2 | 2 | 6 | 170 °F (NTP, 1992) | 326.3 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORODITHIOIC ACID, O,O-BIS(2-ETHYLHEXYL) ESTER | 005810-88-8 | 22,062 | bis(2-ethylhexoxy)-sulfanyl-sulfanylidene-lambda5-phosphane | CCCCC(CC)COP(=S)(OCC(CC)CCCC)S | InChI=1S/C16H35O2PS2/c1-5-9-11-15(7-3)13-17-19(20,21)18-14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3,(H,20,21) | DQNJHGSFNUDORY-UHFFFAOYSA-N | C16H35O2PS2 | 354.6 | 354.18161 | 7.9 | 51.6 | 263 | 0 | 1 | 4 | 14 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CHLOROSULFONIC ACID | 007790-94-5 | 24,638 | sulfurochloridic acid | OS(=O)(=O)Cl | InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4) | XTHPWXDJESJLNJ-UHFFFAOYSA-N | ClHO3S | 116.53 | 115.933493 | -0.1 | 62.8 | 92 | 0 | 1 | 3 | 0 | 5 | null | 311 °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 | 1 |
1-AMINO-2-PROPANOL | 000078-96-6 | 4 | 1-aminopropan-2-ol | CC(CN)O | InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3 | HXKKHQJGJAFBHI-UHFFFAOYSA-N | C3H9NO | 75.11 | 75.068414 | -1 | 46.3 | 22 | 0 | 2 | 2 | 1 | 5 | 171 °F (NTP, 1992) | 313 to 316 °F at 758 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CALCIUM HYDROXIDE | 001305-62-0 | 6,093,208 | calcium dihydroxide | [OH-].[OH-].[Ca+2] | InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2 | AXCZMVOFGPJBDE-UHFFFAOYSA-L | CaH2O2 | 74.09 | 73.96807 | null | 2 | 0 | 0 | 2 | 2 | 0 | 3 | /Calcium Hydroxide is/ non flammable | Decomposes (NIOSH, 2024) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
GALLIUM(III) SULFIDE | 012024-22-5 | 165,983 | digallium;trisulfide | [S-2].[S-2].[S-2].[Ga+3].[Ga+3] | InChI=1S/2Ga.3S/q2*+3;3*-2 | BVSHTEBQPBBCFT-UHFFFAOYSA-N | Ga2S3 | 235.6 | 235.76649 | null | 3 | 0 | 0 | 0 | 3 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRIETHYLAMINE HYDROCHLORIDE | 000554-68-7 | 11,130 | N,N-diethylethanamine;hydrochloride | CCN(CC)CC.Cl | InChI=1S/C6H15N.ClH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H | ILWRPSCZWQJDMK-UHFFFAOYSA-N | C6H16ClN | 137.65 | 137.097127 | null | 3.2 | 25 | 0 | 1 | 1 | 3 | 8 | null | 245 °C (sublimes) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CALCIUM TRIFLUOROMETHANE SULFONATE | 055120-75-7 | 2,734,307 | calcium bis(trifluoromethanesulfonate) | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ca+2] | InChI=1S/2CHF3O3S.Ca/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2 | PUQLFUHLKNBKQQ-UHFFFAOYSA-L | C2CaF6O6S2 | 338.2 | 337.86664 | null | 131 | 145 | 0 | 0 | 12 | 0 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
YTTERBIUM (III) TRIFLUOROMETHANESULFONATE | 054761-04-5 | 2,733,225 | tris(trifluoromethanesulfonate);ytterbium(3+) | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Yb+3] | InChI=1S/3CHF3O3S.Yb/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3 | AHZJKOKFZJYCLG-UHFFFAOYSA-K | C3F9O9S3Yb | 620.3 | 620.794941 | 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 |
2-BUTENOIC ACID, 4-BROMO-, METHYL ESTER | 001117-71-1 | 5,369,175 | methyl (E)-4-bromobut-2-enoate | COC(=O)/C=C/CBr | InChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+ | RWIKCBHOVNDESJ-NSCUHMNNSA-N | C5H7BrO2 | 179.01 | 177.96294 | 1.1 | 26.3 | 98 | 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 | 1 |
2-BUTENOIC ACID, 4-(ETHYLAMINO)-4-OXO-, (Z)- | 004166-67-0 | 5,380,356 | (Z)-4-(ethylamino)-4-oxobut-2-enoic acid | CCNC(=O)/C=C\C(=O)O | InChI=1S/C6H9NO3/c1-2-7-5(8)3-4-6(9)10/h3-4H,2H2,1H3,(H,7,8)(H,9,10)/b4-3- | HBQGCOWNLUOCBU-ARJAWSKDSA-N | C6H9NO3 | 143.14 | 143.058243 | -0.3 | 66.4 | 162 | 0 | 2 | 3 | 3 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PROPANOIC ACID, 3-(ACETYLTHIO)-2-METHYL- | 033325-40-5 | 118,073 | 3-acetylsulfanyl-2-methylpropanoic acid | CC(CSC(=O)C)C(=O)O | InChI=1S/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9) | VFVHNRJEYQGRGE-UHFFFAOYSA-N | C6H10O3S | 162.21 | 162.035065 | 0.7 | 79.7 | 144 | 0 | 1 | 4 | 4 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PHOSPHORIC ACID, MONO(2-METHYLPROPYL) ESTER, DIPOTASSIUM SALT | 068541-10-6 | 110,525 | dipotassium;2-methylpropyl phosphate | CC(C)COP(=O)([O-])[O-].[K+].[K+] | InChI=1S/C4H11O4P.2K/c1-4(2)3-8-9(5,6)7;;/h4H,3H2,1-2H3,(H2,5,6,7);;/q;2*+1/p-2 | QQVPGMKUULHCHN-UHFFFAOYSA-L | C4H9K2O4P | 230.28 | 229.951259 | null | 72.4 | 104 | 0 | 0 | 4 | 2 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BROMOCHLOROMETHANE | 000074-97-5 | 6,333 | bromo(chloro)methane | C(Cl)Br | InChI=1S/CH2BrCl/c2-1-3/h1H2 | JPOXNPPZZKNXOV-UHFFFAOYSA-N | CH2BrCl | 129.38 | 127.90284 | 1.7 | 0 | 4 | 0 | 0 | 0 | 0 | 3 | No flash or fire points by standard tests in air. | 154 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
HEPTAFLUOROBUTYRIC ANHYDRIDE | 000336-59-4 | 67,643 | 2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate | C(=O)(C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F | InChI=1S/C8F14O3/c9-3(10,5(13,14)7(17,18)19)1(23)25-2(24)4(11,12)6(15,16)8(20,21)22 | UFFSXJKVKBQEHC-UHFFFAOYSA-N | C8F14O3 | 410.06 | 409.962388 | 4.8 | 43.4 | 493 | 0 | 0 | 17 | 6 | 25 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PERFLUOROPENTANOIC ACID | 002706-90-3 | 75,921 | 2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid | C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O | InChI=1S/C5HF9O2/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14/h(H,15,16) | CXZGQIAOTKWCDB-UHFFFAOYSA-N | C5HF9O2 | 264.05 | 263.983283 | 2.9 | 37.3 | 291 | 0 | 1 | 11 | 3 | 16 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N,N-BUTYLDIETHANOLAMINE | 000102-79-4 | 7,620 | 2-[butyl(2-hydroxyethyl)amino]ethanol | CCCCN(CCO)CCO | InChI=1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3 | GVNHOISKXMSMPX-UHFFFAOYSA-N | C8H19NO2 | 161.24 | 161.141579 | 0.1 | 43.7 | 72 | 0 | 2 | 3 | 7 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
NONAFLUOROBUTANESULFONYL FLUORIDE | 000375-72-4 | 67,814 | 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl fluoride | C(C(C(F)(F)S(=O)(=O)F)(F)F)(C(F)(F)F)(F)F | InChI=1S/C4F10O2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16 | LUYQYZLEHLTPBH-UHFFFAOYSA-N | C4F10O2S | 302.09 | 301.945932 | 3.4 | 42.5 | 386 | 0 | 0 | 12 | 3 | 17 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
BUTYL ACID PHOSPHATE | 052933-01-4 | 15,389 | butyl dihydrogen phosphate | CCCCOP(=O)(O)O | InChI=1S/C4H11O4P/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7) | BNMJSBUIDQYHIN-UHFFFAOYSA-N | C4H11O4P | 154.1 | 154.039496 | -0.3 | 66.8 | 107 | 0 | 2 | 4 | 4 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
PROPANOIC ACID, AMMONIUM SALT | 017496-08-1 | 87,139 | azane;propanoic acid | CCC(=O)O.N | InChI=1S/C3H6O2.H3N/c1-2-3(4)5;/h2H2,1H3,(H,4,5);1H3 | XJMWHXZUIGHOBA-UHFFFAOYSA-N | C3H9NO2 | 91.11 | 91.063329 | null | 38.3 | 40 | 0 | 2 | 3 | 1 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TELLURIUM CHLORIDE | 010026-07-0 | 61,443 | null | Cl[Te](Cl)(Cl)Cl | InChI=1S/Cl4Te/c1-5(2,3)4 | SWLJJEFSPJCUBD-UHFFFAOYSA-N | Cl4Te | 269.4 | 271.778683 | null | 0 | 19 | 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 | 0 |
AMMONIUM HYDROXIDE Solutions (>/=10-<70%) | 001336-21-6 | 14,923 | azanium hydroxide | [NH4+].[OH-] | InChI=1S/H3N.H2O/h1H3;1H2 | VHUUQVKOLVNVRT-UHFFFAOYSA-N | H5NO | 35.046 | 35.037114 | null | 2 | 0 | 0 | 2 | 1 | 0 | 2 | null | 38 °C (25%) | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SILVER CARBONATE | 000534-16-7 | 92,796 | disilver;carbonate | C(=O)([O-])[O-].[Ag+].[Ag+] | InChI=1S/CH2O3.2Ag/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2 | KQTXIZHBFFWWFW-UHFFFAOYSA-L | CAg2O3 | 275.745 | 275.79459 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 6 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
POTASSIUM PHOSPHATE, DIBASIC | 007758-11-4 | 24,450 | dipotassium;hydrogen phosphate | OP(=O)([O-])[O-].[K+].[K+] | InChI=1S/2K.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2 | ZPWVASYFFYYZEW-UHFFFAOYSA-L | HK2O4P | 174.176 | 173.888659 | null | 83.4 | 46 | 0 | 1 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM IODIDE | 007681-82-5 | 5,238 | sodium iodide | [Na+].[I-] | InChI=1S/HI.Na/h1H;/q;+1/p-1 | FVAUCKIRQBBSSJ-UHFFFAOYSA-M | INa | 149.8942 | 149.89424 | null | 0 | 2 | 0 | 0 | 1 | 0 | 2 | null | Decomposes | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
LAURIC ACID | 000143-07-7 | 3,893 | dodecanoic acid | CCCCCCCCCCCC(=O)O | InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14) | POULHZVOKOAJMA-UHFFFAOYSA-N | C12H24O2 | 200.32 | 200.17763 | 4.2 | 37.3 | 132 | 0 | 1 | 2 | 10 | 14 | 235 °F (NTP, 1992) | 437 °F at 100 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TRI-N-OCTYLPHOSPHINE OXIDE | 000078-50-2 | 65,577 | 1-dioctylphosphoryloctane | CCCCCCCCP(=O)(CCCCCCCC)CCCCCCCC | InChI=1S/C24H51OP/c1-4-7-10-13-16-19-22-26(25,23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h4-24H2,1-3H3 | ZMBHCYHQLYEYDV-UHFFFAOYSA-N | C24H51OP | 386.6 | 386.367753 | 9.6 | 17.1 | 266 | 0 | 0 | 1 | 21 | 26 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
2-METHYLLACTIC ACID | 000594-61-6 | 11,671 | 2-hydroxy-2-methylpropanoic acid | CC(C)(C(=O)O)O | InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6) | BWLBGMIXKSTLSX-UHFFFAOYSA-N | C4H8O3 | 104.1 | 104.047344 | -0.4 | 57.5 | 84 | 0 | 2 | 3 | 1 | 7 | null | 212.00 °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 |
MESO-TARTARIC ACID | 000147-73-9 | 447,315 | (2R,3S)-2,3-dihydroxybutanedioic acid | [C@@H]([C@@H](C(=O)O)O)(C(=O)O)O | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2+ | FEWJPZIEWOKRBE-XIXRPRMCSA-N | C4H6O6 | 150.09 | 150.016438 | -1.9 | 115 | 134 | 0 | 4 | 6 | 3 | 10 | 210 °C c.c. | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
LACTIC ACID, MONOSODIUM SALT | 000312-85-6 | 23,666,456 | sodium 2-hydroxypropanoate | CC(C(=O)[O-])O.[Na+] | InChI=1S/C3H6O3.Na/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);/q;+1/p-1 | NGSFWBMYFKHRBD-UHFFFAOYSA-M | C3H5NaO3 | 112.06 | 112.013638 | null | 60.4 | 63 | 0 | 1 | 3 | 1 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N-LAUROYLSARCOSINE SODIUM | 000137-16-6 | 23,668,817 | sodium 2-[dodecanoyl(methyl)amino]acetate | CCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+] | InChI=1S/C15H29NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-14(17)16(2)13-15(18)19;/h3-13H2,1-2H3,(H,18,19);/q;+1/p-1 | KSAVQLQVUXSOCR-UHFFFAOYSA-M | C15H28NNaO3 | 293.38 | 293.196688 | null | 60.4 | 260 | 0 | 0 | 3 | 12 | 20 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MERCURY(I) OXIDE | 015829-53-5 | 16,683,011 | mercuriooxymercury | O([Hg])[Hg] | InChI=1S/2Hg.O | RPZHFKHTXCZXQV-UHFFFAOYSA-N | Hg2O | 417.18 | 417.933885 | null | 9.2 | 2 | 0 | 0 | 1 | 0 | 3 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 1 |
NEODYMIUM CHLORIDE | 010024-93-8 | 66,204 | trichloroneodymium | Cl[Nd](Cl)Cl | InChI=1S/3ClH.Nd/h3*1H;/q;;;+3/p-3 | ATINCSYRHURBSP-UHFFFAOYSA-K | Cl3Nd | 250.6 | 246.81429 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DIETHYL PHOSPHITE | 000762-04-9 | 6,327,654 | diethoxy(oxo)phosphanium | CCO[P+](=O)OCC | InChI=1S/C4H10O3P/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3/q+1 | LXCYSACZTOKNNS-UHFFFAOYSA-N | C4H10O3P+ | 137.09 | 137.036756 | 0.7 | 35.5 | 65 | 1 | 0 | 3 | 4 | 8 | null | 138 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
EUROPIUM CHLORIDE | 010025-76-0 | 24,809 | trichloroeuropium | Cl[Eu](Cl)Cl | InChI=1S/3ClH.Eu/h3*1H;/q;;;+3/p-3 | NNMXSTWQJRPBJZ-UHFFFAOYSA-K | Cl3Eu | 258.32 | 257.82779 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BIS-TRIS | 006976-37-0 | 81,462 | 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)propane-1,3-diol | C(CO)N(CCO)C(CO)(CO)CO | InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2 | OWMVSZAMULFTJU-UHFFFAOYSA-N | C8H19NO5 | 209.24 | 209.126323 | -3.3 | 104 | 125 | 0 | 5 | 6 | 8 | 14 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
NEROL | 000106-25-2 | 643,820 | (2Z)-3,7-dimethylocta-2,6-dien-1-ol | CC(=CCC/C(=C\CO)/C)C | InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7- | GLZPCOQZEFWAFX-YFHOEESVSA-N | C10H18O | 154.25 | 154.135765 | 2.9 | 20.2 | 150 | 0 | 1 | 1 | 4 | 11 | Flash Point: 107.78 °C /226 °F (closed cup) | 225 °C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
CALCIUM MAGNESIUM HYDROXIDE OXIDE | 058398-71-3 | 13,710,582 | calcium;magnesium;oxygen(2-);dihydroxide | [OH-].[OH-].[O-2].[Mg+2].[Ca+2] | InChI=1S/Ca.Mg.2H2O.O/h;;2*1H2;/q2*+2;;;-2/p-2 | UEURCQNQTWXPEE-UHFFFAOYSA-L | CaH2MgO3 | 114.4 | 113.948027 | null | 3 | 0 | 0 | 2 | 3 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N-METHYLOCTADECYLAMINE | 002439-55-6 | 75,539 | N-methyloctadecan-1-amine | CCCCCCCCCCCCCCCCCCNC | InChI=1S/C19H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2/h20H,3-19H2,1-2H3 | SZEGKVHRCLBFKJ-UHFFFAOYSA-N | C19H41N | 283.5 | 283.3239 | 8.6 | 12 | 156 | 0 | 1 | 1 | 17 | 20 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
PERFLUORO-TERT-BUTANOL | 002378-02-1 | 16,924 | 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-ol | C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O | InChI=1S/C4HF9O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H | XZNOAVNRSFURIR-UHFFFAOYSA-N | C4HF9O | 236.04 | 235.988368 | 2.8 | 20.2 | 170 | 0 | 1 | 10 | 0 | 14 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,5-DIMETHYL-2,5-HEXANEDIOL | 000110-03-2 | 8,031 | 2,5-dimethylhexane-2,5-diol | CC(C)(CCC(C)(C)O)O | InChI=1S/C8H18O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,5-6H2,1-4H3 | ZWNMRZQYWRLGMM-UHFFFAOYSA-N | C8H18O2 | 146.23 | 146.13068 | 0.8 | 40.5 | 91 | 0 | 2 | 2 | 3 | 10 | null | 118 °C @ 15 MM HG | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
N-ETHYLDIETHANOLAMINE | 000139-87-7 | 8,769 | 2-[ethyl(2-hydroxyethyl)amino]ethanol | CCN(CCO)CCO | InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3 | AKNUHUCEWALCOI-UHFFFAOYSA-N | C6H15NO2 | 133.19 | 133.110279 | 0.1 | 43.7 | 53 | 0 | 2 | 3 | 5 | 9 | 208 °F (138 °C) (Open cup) | 247 degc C | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-AMINO-2-METHYL-1,3-PROPANEDIOL | 000115-69-5 | 1,531 | 2-amino-2-methylpropane-1,3-diol | CC(CO)(CO)N | InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3 | UXFQFBNBSPQBJW-UHFFFAOYSA-N | C4H11NO2 | 105.14 | 105.078979 | -1.8 | 66.5 | 51 | 0 | 3 | 3 | 2 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N,N-DIMETHYLAMINOPROPYL METHACRYLAMIDE | 005205-93-6 | 78,882 | N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide | CC(=C)C(=O)NCCCN(C)C | InChI=1S/C9H18N2O/c1-8(2)9(12)10-6-5-7-11(3)4/h1,5-7H2,2-4H3,(H,10,12) | GDFCSMCGLZFNFY-UHFFFAOYSA-N | C9H18N2O | 170.25 | 170.141913 | 0.9 | 32.3 | 164 | 0 | 1 | 2 | 5 | 12 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
AMMONIUM HEXACHLORORHODATE(III) | 015336-18-2 | 16,211,509 | triazanium;hexachlororhodium(3-) | [NH4+].[NH4+].[NH4+].Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl | InChI=1S/6ClH.3H3N.Rh/h6*1H;3*1H3;/q;;;;;;;;;+3/p-3 | OJNYBYILSUWBHM-UHFFFAOYSA-K | Cl6H12N3Rh | 369.7 | 368.81878 | null | 3 | 62 | 0 | 3 | 1 | 0 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HEMATITE | 001317-60-8 | 14,833 | bis(iron(3+));tris(oxygen(2-)) | [O-2].[O-2].[O-2].[Fe+3].[Fe+3] | InChI=1S/2Fe.3O/q2*+3;3*-2 | LIKBJVNGSGBSGK-UHFFFAOYSA-N | Fe2O3 | 159.69 | 159.854615 | null | 3 | 0 | 0 | 0 | 3 | 0 | 5 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM HEXABROMOPLATINATE | 039277-13-9 | 20,474,473 | disodium;hexabromoplatinum(2-) | [Na+].[Na+].Br[Pt-2](Br)(Br)(Br)(Br)Br | InChI=1S/6BrH.2Na.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6 | RFZKZIKSQSDBBI-UHFFFAOYSA-H | Br6Na2Pt | 720.5 | 720.44821 | null | 0 | 62 | 0 | 0 | 1 | 0 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
GADOLINIUM IODIDE | 013572-98-0 | 83,588 | triiodogadolinium | I[Gd](I)I | InChI=1S/Gd.3HI/h;3*1H/q+3;;;/p-3 | IZZTUGMCLUGNPM-UHFFFAOYSA-K | GdI3 | 537.96 | 538.6375 | null | 0 | 8 | 0 | 0 | 0 | 0 | 4 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 |
DICETYL PHOSPHATE | 002197-63-9 | 75,143 | dihexadecyl hydrogen phosphate | CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC | InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34) | RNPXCFINMKSQPQ-UHFFFAOYSA-N | C32H67O4P | 546.8 | 546.477698 | 14.5 | 55.8 | 434 | 0 | 1 | 4 | 32 | 37 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1,2,3,4-TETRABROMOBUTANE | 001529-68-6 | 15,221 | 1,2,3,4-tetrabromobutane | C(C(C(CBr)Br)Br)Br | InChI=1S/C4H6Br4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2 | HGRZLIGHKHRTRE-UHFFFAOYSA-N | C4H6Br4 | 373.71 | 373.7162 | 3.4 | 0 | 48 | 0 | 0 | 0 | 3 | 8 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
OLEIC ACID MONOISO-PROPANOLAMIDE | 000111-05-7 | 6,436,066 | (Z)-N-(2-hydroxypropyl)octadec-9-enamide | CCCCCCCC/C=C\CCCCCCCC(=O)NCC(C)O | InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h10-11,20,23H,3-9,12-19H2,1-2H3,(H,22,24)/b11-10- | UDZAXLGLNUMCRX-KHPPLWFESA-N | C21H41NO2 | 339.6 | 339.31373 | 6.8 | 49.3 | 302 | 0 | 2 | 2 | 17 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MYRISTIC ACID DIETHANOLAMIDE | 000120-40-1 | 8,430 | N,N-bis(2-hydroxyethyl)dodecanamide | CCCCCCCCCCCC(=O)N(CCO)CCO | InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3 | AOMUHOFOVNGZAN-UHFFFAOYSA-N | C16H33NO3 | 287.44 | 287.246044 | 3.5 | 60.8 | 216 | 0 | 2 | 3 | 14 | 20 | null | 462 to 471 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM DI(2-ETHYLHEXYL)PHOSPHATE | 000141-65-1 | 23,683,737 | sodium bis(2-ethylhexyl) phosphate | CCCCC(CC)COP(=O)([O-])OCC(CC)CCCC.[Na+] | InChI=1S/C16H35O4P.Na/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;/h15-16H,5-14H2,1-4H3,(H,17,18);/q;+1/p-1 | AOBMIXQSBXYCFW-UHFFFAOYSA-M | C16H34NaO4P | 344.4 | 344.209241 | null | 58.6 | 265 | 0 | 0 | 4 | 14 | 22 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM DI-TRIDECYL SULFOSUCCINATE | 002673-22-5 | 23,669,618 | sodium 1,4-dioxo-1,4-di(tridecoxy)butane-2-sulfonate | CCCCCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCCCCC)S(=O)(=O)[O-].[Na+] | InChI=1S/C30H58O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-36-29(31)27-28(38(33,34)35)30(32)37-26-24-22-20-18-16-14-12-10-8-6-4-2;/h28H,3-27H2,1-2H3,(H,33,34,35);/q;+1/p-1 | YWQIGRBJQMNGSN-UHFFFAOYSA-M | C30H57NaO7S | 584.8 | 584.37227 | null | 118 | 665 | 0 | 0 | 7 | 30 | 39 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIAMYL SODIUM SULFOSUCCINATE | 000922-80-5 | 23,669,004 | sodium 1,4-dioxo-1,4-dipentoxybutane-2-sulfonate | CCCCCOC(=O)CC(C(=O)OCCCCC)S(=O)(=O)[O-].[Na+] | InChI=1S/C14H26O7S.Na/c1-3-5-7-9-20-13(15)11-12(22(17,18)19)14(16)21-10-8-6-4-2;/h12H,3-11H2,1-2H3,(H,17,18,19);/q;+1/p-1 | UMEWSJNRBXKWKZ-UHFFFAOYSA-M | C14H25NaO7S | 360.4 | 360.121869 | null | 118 | 431 | 0 | 0 | 7 | 14 | 23 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIISOBUTYL SODIUM SULFOSUCCINATE | 000127-39-9 | 23,683,016 | sodium 1,4-bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonate | CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-].[Na+] | InChI=1S/C12H22O7S.Na/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4;/h8-10H,5-7H2,1-4H3,(H,15,16,17);/q;+1/p-1 | NTWXWSVUSTYPJH-UHFFFAOYSA-M | C12H21NaO7S | 332.35 | 332.090569 | null | 118 | 425 | 0 | 0 | 7 | 10 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIETHANOLAMMONIUM LAURYL SULFATE | 000139-96-8 | 8,777 | 2-[bis(2-hydroxyethyl)amino]ethanol;dodecyl hydrogen sulfate | CCCCCCCCCCCCOS(=O)(=O)O.C(CO)N(CCO)CCO | InChI=1S/C12H26O4S.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;8-4-1-7(2-5-9)3-6-10/h2-12H2,1H3,(H,13,14,15);8-10H,1-6H2 | JZKFHQMONDVVNF-UHFFFAOYSA-N | C18H41NO7S | 415.6 | 415.260374 | null | 136 | 299 | 0 | 4 | 8 | 18 | 27 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM OLEYL SULFATE | 001847-55-8 | 23,686,132 | sodium [(Z)-octadec-9-enyl] sulfate | CCCCCCCC/C=C\CCCCCCCCOS(=O)(=O)[O-].[Na+] | InChI=1S/C18H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);/q;+1/p-1/b10-9-; | MWZFQMUXPSUDJQ-KVVVOXFISA-M | C18H35NaO4S | 370.5 | 370.215375 | null | 74.8 | 364 | 0 | 0 | 4 | 17 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
SODIUM LAURATE | 000629-25-4 | 2,735,067 | sodium dodecanoate | CCCCCCCCCCCC(=O)[O-].[Na+] | InChI=1S/C12H24O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;/h2-11H2,1H3,(H,13,14);/q;+1/p-1 | BTURAGWYSMTVOW-UHFFFAOYSA-M | C12H23NaO2 | 222.3 | 222.159574 | null | 40.1 | 138 | 0 | 0 | 2 | 10 | 15 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
OCTAETHYLENE GLYCOL MONODODECYL ETHER | 003055-98-9 | 123,921 | 2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol | CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO | InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19-21-34-23-25-36-27-28-37-26-24-35-22-20-33-18-16-31-14-12-29/h29H,2-28H2,1H3 | YYELLDKEOUKVIQ-UHFFFAOYSA-N | C28H58O9 | 538.8 | 538.408083 | 4.1 | 94.1 | 389 | 0 | 1 | 9 | 34 | 37 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
BIS(TRIMETHOXYSILYLPROPYL)ETHYLENEDIAMINE | 068845-16-9 | 111,651 | N,N'-bis(3-trimethoxysilylpropyl)ethane-1,2-diamine | CO[Si](CCCNCCNCCC[Si](OC)(OC)OC)(OC)OC | InChI=1S/C14H36N2O6Si2/c1-17-23(18-2,19-3)13-7-9-15-11-12-16-10-8-14-24(20-4,21-5)22-6/h15-16H,7-14H2,1-6H3 | HZGIOLNCNORPKR-UHFFFAOYSA-N | C14H36N2O6Si2 | 384.62 | 384.21119 | null | 79.4 | 250 | 0 | 2 | 8 | 17 | 24 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
HAFNIUM FLUORIDE | 013709-52-9 | 4,092,293 | tetrafluorohafnium | F[Hf](F)(F)F | InChI=1S/4FH.Hf/h4*1H;/q;;;;+4/p-4 | QHEDSQMUHIMDOL-UHFFFAOYSA-J | F4Hf | 254.48 | 255.94017 | null | 0 | 19 | 0 | 0 | 4 | 0 | 5 | null | null | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ZINC IRON OXIDE | 012063-19-3 | 11,831,558 | hydroxy(oxo)iron;zinc | O[Fe]=O.O[Fe]=O.[Zn] | InChI=1S/2Fe.2H2O.2O.Zn/h;;2*1H2;;;/q2*+1;;;;;/p-2 | NNGHIEIYUJKFQS-UHFFFAOYSA-L | Fe2H2O4Zn | 243.1 | 241.794321 | null | 74.6 | 30 | 0 | 2 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
1-(3-(TRIMETHOXYSILYL)PROPYL)UREA | 023843-64-3 | 90,280 | 3-trimethoxysilylpropylurea | CO[Si](CCCNC(=O)N)(OC)OC | InChI=1S/C7H18N2O4Si/c1-11-14(12-2,13-3)6-4-5-9-7(8)10/h4-6H2,1-3H3,(H3,8,9,10) | LVACOMKKELLCHJ-UHFFFAOYSA-N | C7H18N2O4Si | 222.31 | 222.103584 | null | 82.8 | 167 | 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 |
3,3'-IMINODIPROPIONITRILE | 000111-94-4 | 8,149 | 3-(2-cyanoethylamino)propanenitrile | C(CNCCC#N)C#N | InChI=1S/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2 | SBAJRGRUGUQKAF-UHFFFAOYSA-N | C6H9N3 | 123.16 | 123.079647 | -0.8 | 59.6 | 126 | 0 | 1 | 3 | 4 | 9 | 230 °F (NTP, 1992) | 343 °F at 10 mmHg (NTP, 1992) | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
TRIDODECYLAMINE | 000102-87-4 | 7,624 | N,N-didodecyldodecan-1-amine | CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC | InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3 | SWZDQOUHBYYPJD-UHFFFAOYSA-N | C36H75N | 522 | 521.589951 | 17 | 3.2 | 322 | 0 | 0 | 1 | 33 | 37 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 1 |
DL-TARTARIC ACID | 000133-37-9 | 875 | 2,3-dihydroxybutanedioic acid | C(C(C(=O)O)O)(C(=O)O)O | InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10) | FEWJPZIEWOKRBE-UHFFFAOYSA-N | C4H6O6 | 150.09 | 150.016438 | -1.9 | 115 | 134 | 0 | 4 | 6 | 3 | 10 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2,3-DIMERCAPTO-1-PROPANESULFONIC ACID SODIUM SALT MONOHYDRATE | 207233-91-8 | 23,676,755 | sodium;2,3-bis(sulfanyl)propane-1-sulfonate;hydrate | C(C(CS(=O)(=O)[O-])S)S.O.[Na+] | InChI=1S/C3H8O3S3.Na.H2O/c4-9(5,6)2-3(8)1-7;;/h3,7-8H,1-2H2,(H,4,5,6);;1H2/q;+1;/p-1 | XMUHNMQFDVIWGU-UHFFFAOYSA-M | C3H9NaO4S3 | 228.3 | 227.956067 | null | 68.6 | 160 | 0 | 3 | 6 | 3 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
DEFEROXAMINE MESYLATE | 000138-14-7 | 62,881 | N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;methanesulfonic acid | CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O.CS(=O)(=O)O | InChI=1S/C25H48N6O8.CH4O3S/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;1-5(2,3)4/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H3,(H,2,3,4) | IDDIJAWJANBQLJ-UHFFFAOYSA-N | C26H52N6O11S | 656.8 | 656.341478 | null | 269 | 832 | 0 | 7 | 12 | 23 | 44 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
DL-B-HYDROXYNORVALINE | 034042-00-7 | 65,097 | 2-amino-3-hydroxypentanoic acid | CCC(C(C(=O)O)N)O | InChI=1S/C5H11NO3/c1-2-3(7)4(6)5(8)9/h3-4,7H,2,6H2,1H3,(H,8,9) | LGVJIYCMHMKTPB-UHFFFAOYSA-N | C5H11NO3 | 133.15 | 133.073893 | -2.4 | 83.6 | 104 | 0 | 3 | 4 | 3 | 9 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
ZIRCONIUM 2-ETHYLHEXANOATE | 022464-99-9 | 112,500,423 | (2R)-2-ethylhexanoate;(2S)-2-ethylhexanoate;zirconium(2+) | CCCC[C@@H](CC)C(=O)[O-].CCCC[C@H](CC)C(=O)[O-].[Zr+2] | InChI=1S/2C8H16O2.Zr/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2/t2*7-;/m10./s1 | RIYRDRZNXDRTIL-BGEHQDIKSA-L | C16H30O4Zr | 377.63 | 376.119108 | null | 80.3 | 93 | 0 | 0 | 4 | 8 | 21 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 |
2-ALLYLOXYETHANOL | 000111-45-5 | 8,116 | 2-prop-2-enoxyethanol | C=CCOCCO | InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2 | GCYHRYNSUGLLMA-UHFFFAOYSA-N | C5H10O2 | 102.13 | 102.06808 | -0.1 | 29.5 | 43 | 0 | 1 | 2 | 4 | 7 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
N-2-HYDROXYETHYLACETAMIDE | 000142-26-7 | 8,880 | N-(2-hydroxyethyl)acetamide | CC(=O)NCCO | InChI=1S/C4H9NO2/c1-4(7)5-2-3-6/h6H,2-3H2,1H3,(H,5,7) | PVCJKHHOXFKFRP-UHFFFAOYSA-N | C4H9NO2 | 103.12 | 103.063329 | -1.1 | 49.3 | 62 | 0 | 2 | 2 | 2 | 7 | 176.6 °C | 166-167 °C @ 8 MM HG | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
2-ETHYLHEXANOIC ACID, POTASSIUM SALT | 003164-85-0 | 23,669,619 | potassium 2-ethylhexanoate | CCCCC(CC)C(=O)[O-].[K+] | InChI=1S/C8H16O2.K/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1 | ZUFQCVZBBNZMKD-UHFFFAOYSA-M | C8H15KO2 | 182.3 | 182.070911 | null | 40.1 | 104 | 0 | 0 | 2 | 5 | 11 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
1,1,1-TRIMETHYLHYDRAZINIUM IODIDE | 003288-80-0 | 18,683 | amino(trimethyl)azanium iodide | C[N+](C)(C)N.[I-] | InChI=1S/C3H11N2.HI/c1-5(2,3)4;/h4H2,1-3H3;1H/q+1;/p-1 | HLNPDVKKRBWQAA-UHFFFAOYSA-M | C3H11IN2 | 202.04 | 201.9967 | null | 26 | 26 | 0 | 1 | 2 | 0 | 6 | null | null | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
2-METHYLHEXANOIC ACID | 004536-23-6 | 20,653 | 2-methylhexanoic acid | CCCCC(C)C(=O)O | InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9) | CVKMFSAVYPAZTQ-UHFFFAOYSA-N | C7H14O2 | 130.18 | 130.09938 | 2.3 | 37.3 | 88 | 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 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.