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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NEODECANOIC ACID, CADMIUM SALT | 061951-96-0 | 112,792 | cadmium(2+);bis(3,3,5,5-tetramethylhexanoate) | CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Cd+2] | InChI=1S/2C10H20O2.Cd/c2*1-9(2,3)7-10(4,5)6-8(11)12;/h2*6-7H2,1-5H3,(H,11,12);/q;;+2/p-2 | MNYACJUMRBDDQC-UHFFFAOYSA-L | C20H38CdO4 | 454.9 | 456.180375 | null | 80.3 | 158 | 0 | 0 | 4 | 6 | 25 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 |
RUTHENATE(2-), PENTACHLORO-, DIAMMONIUM | 068133-88-0 | 176,259 | diazanium;ruthenium(3+);pentachloride | [NH4+].[NH4+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Ru+3] | InChI=1S/5ClH.2H3N.Ru/h5*1H;2*1H3;/q;;;;;;;+3/p-3 | AEETWQIZFGAMIM-UHFFFAOYSA-K | Cl5H8N2Ru | 314.4 | 314.814402 | null | 2 | 0 | 0 | 2 | 5 | 0 | 8 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
1,1,2,2,3,3,4,4,4-NONAFLUORO-N-METHYL-1-BUTANESULFONAMIDE | 068298-12-4 | 109,968 | 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide | CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F | InChI=1S/C5H4F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3 | GFZPUWKGPNHWHD-UHFFFAOYSA-N | C5H4F9NO2S | 313.14 | 312.981903 | 2.6 | 54.6 | 406 | 0 | 1 | 12 | 4 | 18 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-PENTADECAFLUORO-1-HEPTANESULFONIC ACID, COMPD. WITH 2,2'-IMINOBIS[ETHANOL] (1:1) | 070225-15-9 | 71,440,002 | bis(2-hydroxyethyl)azanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonate | C(CO)[NH2+]CCO.C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F | InChI=1S/C7HF15O3S.C4H11NO2/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25;6-3-1-5-2-4-7/h(H,23,24,25);5-7H,1-4H2 | SDWCILHGJCGQEW-UHFFFAOYSA-N | C11H12F15NO5S | 555.26 | 555.019666 | null | 123 | 655 | 0 | 3 | 20 | 9 | 33 | null | null | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 |
L-Alanine, gamma-(hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-, mon | 071048-99-2 | 118,988,468 | sodium [(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutyl]-methylphosphinate | C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCP(=O)(C)[O-])N.[Na+] | InChI=1S/C11H22N3O6P.Na/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20;/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20);/q;+1/p-1/t6-,7-,8-;/m0./s1 | RTWIRLHWLMNVCC-WQYNNSOESA-M | C11H21N3NaO6P | 345.26 | 345.106567 | null | 162 | 461 | 0 | 4 | 7 | 8 | 22 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
1,3-PROPANEDIAMINE, N-[3-(ISODECYLOXY)PROPYL]- | 072162-46-0 | 174,951 | N'-[3-(8-methylnonoxy)propyl]propane-1,3-diamine | CC(C)CCCCCCCOCCCNCCCN | InChI=1S/C16H36N2O/c1-16(2)10-6-4-3-5-7-14-19-15-9-13-18-12-8-11-17/h16,18H,3-15,17H2,1-2H3 | LMVFSACRPDMFSQ-UHFFFAOYSA-N | C16H36N2O | 272.47 | 272.282764 | 3.6 | 47.3 | 163 | 0 | 2 | 3 | 15 | 19 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
MONOBROMO-3-NITRILOPROPIONAMIDE (2-BROMO-2-CYANOACETAMIDE) | 001113-55-9 | 263,631 | 2-bromo-2-cyanoacetamide | C(#N)C(C(=O)N)Br | InChI=1S/C3H3BrN2O/c4-2(1-5)3(6)7/h2H,(H2,6,7) | ABBGMXMPOCXVNL-UHFFFAOYSA-N | C3H3BrN2O | 162.97 | 161.94288 | -0.1 | 66.9 | 124 | 0 | 1 | 2 | 1 | 7 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
BORON TRIS(TRIFLUOROACETATE) | 000350-70-9 | 67,693 | bis[(2,2,2-trifluoroacetyl)oxy]boranyl 2,2,2-trifluoroacetate | B(OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)OC(=O)C(F)(F)F | InChI=1S/C6BF9O6/c8-4(9,10)1(17)20-7(21-2(18)5(11,12)13)22-3(19)6(14,15)16 | CWBHKBKGKCDGDM-UHFFFAOYSA-N | C6BF9O6 | 349.86 | 349.964421 | null | 78.9 | 384 | 0 | 0 | 15 | 6 | 22 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ANTIMONY DIALKYLDITHIOCARBAMATE | 015991-76-1 | 85,939 | antimony(3+);tris(N,N-bis(2-ethylhexyl)carbamodithioate) | CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].CCCCC(CC)CN(CC(CC)CCCC)C(=S)[S-].[Sb+3] | InChI=1S/3C17H35NS2.Sb/c3*1-5-9-11-15(7-3)13-18(17(19)20)14-16(8-4)12-10-6-2;/h3*15-16H,5-14H2,1-4H3,(H,19,20);/q;;;+3/p-3 | FPLFMZZKSXPSQO-UHFFFAOYSA-K | C51H102N3S6Sb | 1,071.5 | 1,069.54361 | null | 109 | 220 | 0 | 0 | 6 | 36 | 61 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PHOSPHOROFLUORIDIC ACID | 013537-32-1 | 24,267 | fluorophosphonic acid | OP(=O)(O)F | InChI=1S/FH2O3P/c1-5(2,3)4/h(H2,2,3,4) | DWYMPOCYEZONEA-UHFFFAOYSA-N | FH2O3P | 99.986 | 99.972559 | -1.1 | 57.5 | 61 | 0 | 2 | 4 | 0 | 5 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CADMIUM CHLORIDE HYDRATE | 015244-35-6 | 3,084,221 | cadmium(2+);sulfate;octahydrate | O.O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Cd+2] | InChI=1S/Cd.H2O4S.8H2O/c;1-5(2,3)4;;;;;;;;/h;(H2,1,2,3,4);8*1H2/q+2;;;;;;;;;/p-2 | XPGCBFBTBOFJAE-UHFFFAOYSA-L | CdH16O12S | 352.6 | 353.939612 | null | 96.6 | 62 | 0 | 8 | 12 | 0 | 14 | null | null | 1 | 0 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 |
SODIUM NITROPRUSSIDE DIHYDRATE | 013755-38-9 | 11,953,895 | disodium;iron(4+);nitroxyl anion;pentacyanide;dihydrate | [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[N-]=O.O.O.[Na+].[Na+].[Fe+4] | InChI=1S/5CN.Fe.NO.2Na.2H2O/c5*1-2;;1-2;;;;/h;;;;;;;;;2*1H2/q5*-1;+4;-1;2*+1;; | XRKMNJXYOFSTBE-UHFFFAOYSA-N | C5H4FeN6Na2O3 | 297.95 | 297.948962 | null | 139 | 119 | 0 | 2 | 14 | 0 | 17 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
URANYL ACETATE DIHYDRATE | 006159-44-0 | 114,927 | acetic acid;dioxouranium;dihydrate | CC(=O)O.CC(=O)O.O.O.O=[U]=O | InChI=1S/2C2H4O2.2H2O.2O.U/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);2*1H2;;; | COQLPRJCUIATTQ-UHFFFAOYSA-N | C4H12O8U | 426.16 | 426.104 | null | 111 | 129 | 0 | 4 | 8 | 0 | 13 | null | null | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 1 |
DIHYDROGEN HEXACHLOROPLATINATE HEXAHYDRATE | 018497-13-7 | 134,756 | hexachloroplatinum(2-);hydron;hexahydrate | [H+].[H+].O.O.O.O.O.O.Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl | InChI=1S/6ClH.6H2O.Pt/h6*1H;6*1H2;/q;;;;;;;;;;;;+4/p-4 | PIJUVEPNGATXOD-UHFFFAOYSA-J | Cl6H14O6Pt | 517.9 | 516.853999 | null | 6 | 62 | 0 | 8 | 7 | 0 | 13 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 |
BISMUTH SELENIDE (BI2SE3) | 012068-69-8 | 6,379,269 | null | [Se].[Se]=[Bi].[Se]=[Bi] | InChI=1S/2Bi.3Se | OMEPJWROJCQMMU-UHFFFAOYSA-N | Bi2Se3 | 654.9 | 655.71115 | null | 0 | 6 | 0 | 0 | 0 | 0 | 5 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
OCTANAMIDE, N-[2-[(2-HYDROXYETHYL)AMINO]ETHYL]- | 063451-15-0 | 113,225 | N-[2-(2-hydroxyethylamino)ethyl]octanamide | CCCCCCCC(=O)NCCNCCO | InChI=1S/C12H26N2O2/c1-2-3-4-5-6-7-12(16)14-9-8-13-10-11-15/h13,15H,2-11H2,1H3,(H,14,16) | SSZNVFVZGVRQFX-UHFFFAOYSA-N | C12H26N2O2 | 230.35 | 230.199428 | 1.4 | 61.4 | 163 | 0 | 3 | 3 | 11 | 16 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SODIUM SULFIDE, NONAHYDRATE | 001313-84-4 | 73,972 | disodium;sulfide;nonahydrate | O.O.O.O.O.O.O.O.O.[Na+].[Na+].[S-2] | InChI=1S/2Na.9H2O.S/h;;9*1H2;/q2*+1;;;;;;;;;;-2 | ZGHLCBJZQLNUAZ-UHFFFAOYSA-N | H18Na2O9S | 240.19 | 240.046692 | null | 10 | 0 | 0 | 9 | 10 | 0 | 12 | null | null | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
POLY(ETHYLENE GLYCOL) DIACRYLATE | 026570-48-9 | 75,282 | 2-prop-2-enoyloxyethyl prop-2-enoate | C=CC(=O)OCCOC(=O)C=C | InChI=1S/C8H10O4/c1-3-7(9)11-5-6-12-8(10)4-2/h3-4H,1-2,5-6H2 | KUDUQBURMYMBIJ-UHFFFAOYSA-N | C8H10O4 | 170.16 | 170.057909 | 1.2 | 52.6 | 173 | 0 | 0 | 4 | 7 | 12 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
LITHIUM BIS(PERFLUOROETHYLSULFONYL)IMIDE | 132843-44-8 | 12,096,715 | lithium bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide | [Li+].C(C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(C(F)(F)F)(F)F)(F)(F)F | InChI=1S/C4F10NO4S2.Li/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;/q-1;+1 | ACFSQHQYDZIPRL-UHFFFAOYSA-N | C4F10LiNO4S2 | 387.1 | 386.92691 | null | 86 | 539 | 0 | 0 | 15 | 4 | 22 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
2-METHYLPENTANEDINITRILE | 004553-62-2 | 20,686 | 2-methylpentanedinitrile | CC(CCC#N)C#N | InChI=1S/C6H8N2/c1-6(5-8)3-2-4-7/h6H,2-3H2,1H3 | FPPLREPCQJZDAQ-UHFFFAOYSA-N | C6H8N2 | 108.14 | 108.068748 | 0.5 | 47.6 | 142 | 0 | 0 | 2 | 2 | 8 | 259 °F (NTP, 1992) | 257 to 266 °F at 10 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ETHANOL, 2-CHLORO-, PHOSPHITE (3:1) | 000140-08-9 | 8,783 | tris(2-chloroethyl) phosphite | C(CCl)OP(OCCCl)OCCCl | InChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2 | LUVCTYHBTXSAMX-UHFFFAOYSA-N | C6H12Cl3O3P | 269.5 | 267.958964 | 1.8 | 27.7 | 90 | 0 | 0 | 3 | 9 | 13 | 280 °F (NTP, 1992) | 257 to 275 °F at 7 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
CESIUM FLUORIDE | 013400-13-0 | 25,953 | cesium fluoride | [F-].[Cs+] | InChI=1S/Cs.FH/h;1H/q+1;/p-1 | XJHCXCQVJFPJIK-UHFFFAOYSA-M | CsF | 151.903855 | 151.903855 | null | 0 | 2 | 0 | 0 | 1 | 0 | 2 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 |
POTASSIUM TETRACYANOBORATE | 261356-49-4 | 23,686,396 | potassium tetracyanoboranuide | [B-](C#N)(C#N)(C#N)C#N.[K+] | InChI=1S/C4BN4.K/c6-1-5(2-7,3-8)4-9;/q-1;+1 | SQFZXQOCCKUPEC-UHFFFAOYSA-N | C4BKN4 | 153.98 | 153.985308 | null | 95.2 | 241 | 0 | 0 | 5 | 0 | 10 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
OCTAFLUOROHEXANEDINITRILE | 000376-53-4 | 67,826 | 2,2,3,3,4,4,5,5-octafluorohexanedinitrile | C(#N)C(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F | InChI=1S/C6F8N2/c7-3(8,1-15)5(11,12)6(13,14)4(9,10)2-16 | PZIVXXORSILYOQ-UHFFFAOYSA-N | C6F8N2 | 252.06 | 251.993373 | 2.4 | 47.6 | 342 | 0 | 0 | 10 | 3 | 16 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 |
Isothiocyanic acid, 3-(methylsulfinyl)propyl ester | 000505-44-2 | 10,455 | 1-isothiocyanato-3-methylsulfinylpropane | CS(=O)CCCN=C=S | InChI=1S/C5H9NOS2/c1-9(7)4-2-3-6-5-8/h2-4H2,1H3 | LELAOEBVZLPXAZ-UHFFFAOYSA-N | C5H9NOS2 | 163.3 | 163.012556 | 1 | 80.7 | 140 | 0 | 0 | 4 | 4 | 9 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 1 |
DISELENIDE, DIETHYL | 000628-39-7 | 69,405 | (ethyldiselanyl)ethane | CC[Se][Se]CC | InChI=1S/C4H10Se2/c1-3-5-6-4-2/h3-4H2,1-2H3 | OMAWWKIPXLIPDE-UHFFFAOYSA-N | C4H10Se2 | 216.06 | 217.91129 | null | 0 | 17 | 0 | 0 | 0 | 3 | 6 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
(T-4)-SELENIUM BROMIDE (SEBR4) | 007789-65-3 | 82,246 | null | [Se](Br)(Br)(Br)Br | InChI=1S/Br4Se/c1-5(2,3)4 | VTQZBGAODFEJOW-UHFFFAOYSA-N | Br4Se | 398.59 | 399.58577 | null | 0 | 19 | 0 | 0 | 0 | 0 | 5 | null | null | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
PROPANENITRILE, 2-AMINO-2-METHYL- | 019355-69-2 | 88,022 | 2-amino-2-methylpropanenitrile | CC(C)(C#N)N | InChI=1S/C4H8N2/c1-4(2,6)3-5/h6H2,1-2H3 | JQULXIOYDDCNGR-UHFFFAOYSA-N | C4H8N2 | 84.12 | 84.068748 | -0.3 | 49.8 | 85 | 0 | 1 | 2 | 0 | 6 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
N,N,N',N'-TETRAMETHYL-1,6-HEXANEDIAMINE | 000111-18-2 | 8,097 | N,N,N',N'-tetramethylhexane-1,6-diamine | CN(C)CCCCCCN(C)C | InChI=1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3 | TXXWBTOATXBWDR-UHFFFAOYSA-N | C10H24N2 | 172.31 | 172.193949 | 1.7 | 6.5 | 77 | 0 | 0 | 2 | 7 | 12 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
HYDRAZINE DIHYDROCHLORIDE | 005341-61-7 | 17,548 | hydrazine;dihydrochloride | NN.Cl.Cl | InChI=1S/2ClH.H4N2/c;;1-2/h2*1H;1-2H2 | LIAWOTKNAVAKCX-UHFFFAOYSA-N | Cl2H6N2 | 104.96 | 103.990804 | null | 52 | 0 | 0 | 4 | 2 | 0 | 4 | null | null | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
HYDRAZINE, MONOACETATE | 007335-65-1 | 165,591 | acetic acid;hydrazine | CC(=O)O.NN | InChI=1S/C2H4O2.H4N2/c1-2(3)4;1-2/h1H3,(H,3,4);1-2H2 | YFHNDHXQDJQEEE-UHFFFAOYSA-N | C2H8N2O2 | 92.1 | 92.058578 | null | 89.3 | 31 | 0 | 3 | 4 | 0 | 6 | null | null | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
HYDRAZINE SULFATE | 010034-93-2 | 24,842 | hydrazine;sulfuric acid | NN.OS(=O)(=O)O | InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4) | ZGCHATBSUIJLRL-UHFFFAOYSA-N | H6N2O4S | 130.13 | 130.004828 | null | 135 | 81 | 0 | 4 | 6 | 0 | 7 | null | DECOMPOSES (NTP, 1992) | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
TRI-N-PROPYLTIN CHLORIDE | 002279-76-7 | 16,784 | chloro(tripropyl)stannane | CCC[Sn](CCC)(CCC)Cl | InChI=1S/3C3H7.ClH.Sn/c3*1-3-2;;/h3*1,3H2,2H3;1H;/q;;;;+1/p-1 | FVFLIQMADUVDSP-UHFFFAOYSA-M | C9H21ClSn | 283.42 | 284.035381 | null | 0 | 76 | 0 | 0 | 0 | 6 | 11 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
TRIBUTYLTIN CHLORIDE | 001461-22-9 | 15,096 | tributyl(chloro)stannane | CCCC[Sn](CCCC)(CCCC)Cl | InChI=1S/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1 | GCTFWCDSFPMHHS-UHFFFAOYSA-M | C12H27ClSn | 325.5 | 326.082331 | null | 0 | 104 | 0 | 0 | 0 | 9 | 14 | null | 171-173 °C @ 25 mm Hg | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 1 | 0 |
LEAD STEARATE | 007428-48-0 | 62,636 | lead(2+);octadecanoate | CCCCCCCCCCCCCCCCCC(=O)[O-].[Pb+2] | InChI=1S/C18H36O2.Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+2/p-1 | LDVQENLWTVYIDQ-UHFFFAOYSA-M | C18H35O2Pb+ | 491 | 491.24036 | null | 40.1 | 196 | 1 | 0 | 2 | 15 | 21 | null | null | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 1 | 1 |
LITHIUM HYDROXIDE MONOHYDRATE | 001310-66-3 | 168,937 | lithium;hydroxide;hydrate | [Li+].O.[OH-] | InChI=1S/Li.2H2O/h;2*1H2/q+1;;/p-1 | GLXDVVHUTZTUQK-UHFFFAOYSA-M | H3LiO2 | 42 | 42.029308 | null | 2 | 2 | 0 | 2 | 2 | 0 | 3 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
TUNGSTEN SELENIDE | 012067-46-8 | 82,910 | bis(selanylidene)tungsten | [Se]=[W]=[Se] | InChI=1S/2Se.W | ROUIDRHELGULJS-UHFFFAOYSA-N | Se2W | 341.8 | 343.78398 | null | 0 | 18 | 0 | 0 | 0 | 0 | 3 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
IODOMETHANE-12C-D3 | 000865-50-9 | 2,723,978 | trideuterio(iodo)methane | [2H]C([2H])([2H])I | InChI=1S/CH3I/c1-2/h1H3/i1D3 | INQOMBQAUSQDDS-FIBGUPNXSA-N | CH3I | 144.957 | 144.94678 | 1.5 | 0 | 2 | 0 | 0 | 0 | 0 | 2 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
NIOBIUM SELENIDE | 012034-77-4 | 82,841 | bis(selanylidene)niobium | [Se]=[Nb]=[Se] | InChI=1S/Nb.2Se | CXRFFSKFQFGBOT-UHFFFAOYSA-N | NbSe2 | 250.85 | 252.73942 | null | 0 | 18 | 0 | 0 | 0 | 0 | 3 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
TANTALUM SELENIDE (TASE2) | 012039-55-3 | 82,873 | bis(selanylidene)tantalum | [Se]=[Ta]=[Se] | InChI=1S/2Se.Ta | IYJABVNLJXJBTP-UHFFFAOYSA-N | Se2Ta | 338.89 | 340.78104 | null | 0 | 18 | 0 | 0 | 0 | 0 | 3 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
ANTIMONY SELENIDE (SB2SE3) | 001315-05-5 | 6,914,521 | null | [Se].[Se].[Se].[Sb].[Sb] | InChI=1S/2Sb.3Se | GNZJTRGEKSBAAS-UHFFFAOYSA-N | Sb2Se3 | 480.4 | 481.55838 | null | 0 | 4 | 0 | 0 | 0 | 0 | 5 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
SELENIOUS ACID, COPPER(2+) SALT (1:1) | 010214-40-1 | 160,923 | copper selenite | [O-][Se](=O)[O-].[Cu+2] | InChI=1S/Cu.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2 | JNRBLFVQPTZFAG-UHFFFAOYSA-L | CuO3Se | 190.52 | 190.83086 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 5 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
TITANIUM SELENIDE (TISE2) | 012067-45-7 | 82,909 | bis(selanylidene)titanium | [Ti](=[Se])=[Se] | InChI=1S/2Se.Ti | SWFBFRDZBFXEHJ-UHFFFAOYSA-N | Se2Ti | 205.81 | 207.78098 | null | 0 | 18 | 0 | 0 | 0 | 0 | 3 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
HAFNIUM SELENIDE (HFSE2) | 012162-21-9 | 82,955 | bis(selanylidene)hafnium | [Se]=[Hf]=[Se] | InChI=1S/Hf.2Se | LNMGXZOOXVAITI-UHFFFAOYSA-N | HfSe2 | 336.43 | 339.7796 | null | 0 | 18 | 0 | 0 | 0 | 0 | 3 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
ZIRCONIUM SELENIDE (ZRSE2) | 012166-47-1 | 82,961 | bis(selanylidene)zirconium | [Se]=[Zr]=[Se] | InChI=1S/2Se.Zr | HKXPEFKCXYKSFA-UHFFFAOYSA-N | Se2Zr | 249.16 | 249.73774 | null | 0 | 18 | 0 | 0 | 0 | 0 | 3 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
VANADIUM SELENIDE (VSE2) | 012299-51-3 | 83,013 | bis(selanylidene)vanadium | [V](=[Se])=[Se] | InChI=1S/2Se.V | WCQOLGZNMNEYDX-UHFFFAOYSA-N | Se2V | 208.88 | 210.777 | null | 0 | 18 | 0 | 0 | 0 | 0 | 3 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
SELENIOUS ACID, ZINC SALT (1:1) | 013597-46-1 | 159,686 | zinc selenite | [O-][Se](=O)[O-].[Zn+2] | InChI=1S/H2O3Se.Zn/c1-4(2)3;/h(H2,1,2,3);/q;+2/p-2 | PEUPCBAALXHYHP-UHFFFAOYSA-L | O3SeZn | 192.3 | 191.83041 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 5 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
VANADATE (VO31-), CALCIUM (2:1) | 014100-64-2 | 18,780,327 | calcium bis(oxido(dioxo)vanadium) | [O-][V](=O)=O.[O-][V](=O)=O.[Ca+2] | InChI=1S/Ca.6O.2V/q+2;;;;;2*-1;; | DNWNZRZGKVWORZ-UHFFFAOYSA-N | CaO6V2 | 237.96 | 237.819994 | null | 114 | 36 | 0 | 0 | 6 | 0 | 9 | null | null | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 |
POTASSIUM CACODYLATE | 021416-85-3 | 23,702,397 | potassium dimethylarsinate | C[As](=O)(C)[O-].[K+] | InChI=1S/C2H7AsO2.K/c1-3(2,4)5;/h1-2H3,(H,4,5);/q;+1/p-1 | HJRIWDYVYNNCFY-UHFFFAOYSA-M | C2H6AsKO2 | 176.09 | 175.92208 | null | 40.1 | 65 | 0 | 0 | 2 | 0 | 6 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
2-PROPENOIC ACID, 2-ISOCYANATOETHYL ESTER | 013641-96-8 | 3,014,768 | 2-isocyanatoethyl prop-2-enoate | C=CC(=O)OCCN=C=O | InChI=1S/C6H7NO3/c1-2-6(9)10-4-3-7-5-8/h2H,1,3-4H2 | DPNXHTDWGGVXID-UHFFFAOYSA-N | C6H7NO3 | 141.12 | 141.042593 | 1.5 | 55.7 | 170 | 0 | 0 | 4 | 5 | 10 | null | null | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
NICKEL CHLORIDE HEXAHYDRATE | 007791-20-0 | 24,645 | nickel(2+);dichloride;hexahydrate | O.O.O.O.O.O.[Cl-].[Cl-].[Ni+2] | InChI=1S/2ClH.Ni.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2 | LAIZPRYFQUWUBN-UHFFFAOYSA-L | Cl2H12NiO6 | 237.69 | 235.936435 | null | 6 | 0 | 0 | 6 | 8 | 0 | 9 | null | null | 1 | 0 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 0 |
CADMIUM SELENIDE | 001306-24-7 | 14,784 | selanylidenecadmium | [Se]=[Cd] | InChI=1S/Cd.Se | AQCDIIAORKRFCD-UHFFFAOYSA-N | CdSe | 191.38 | 193.81989 | null | 0 | 2 | 0 | 0 | 0 | 0 | 2 | null | null | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
SELENIOUS ACID, BARIUM SALT (1:1) | 013718-59-7 | 166,893 | barium(2+) selenite | [O-][Se](=O)[O-].[Ba+2] | InChI=1S/Ba.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+2;/p-2 | VQKDPABSEYUERS-UHFFFAOYSA-L | BaO3Se | 264.3 | 265.80651 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 5 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
LITHIUM HEXAFLUOROARSENATE | 029935-35-1 | 9,837,036 | lithium hexafluoroarsenic(1-) | [Li+].F[As-](F)(F)(F)(F)F | InChI=1S/AsF6.Li/c2-1(3,4,5,6)7;/q-1;+1 | GTZQZEYBOGZTEO-UHFFFAOYSA-N | AsF6Li | 195.9 | 195.928017 | null | 0 | 62 | 0 | 0 | 7 | 0 | 8 | null | null | 1 | 0 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SELENIC ACID | 007783-08-6 | 1,089 | selenic acid | O[Se](=O)(=O)O | InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4) | QYHFIVBSNOWOCQ-UHFFFAOYSA-N | H2O4Se | 144.98 | 145.91183 | null | 74.6 | 81 | 0 | 2 | 4 | 0 | 5 | null | Decomposes | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
METHYL BROMIDE | 000074-83-9 | 6,323 | bromomethane | CBr | InChI=1S/CH3Br/c1-2/h1H3 | GZUXJHMPEANEGY-UHFFFAOYSA-N | CH3Br | 94.94 | 93.94181 | 1 | 0 | 2 | 0 | 0 | 0 | 0 | 2 | None (EPA, 1998) | 38.4 °F at 760 mmHg (EPA, 1998) | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 |
1,2-DIMETHYLHYDRAZINE | 000540-73-8 | 1,322 | 1,2-dimethylhydrazine | CNNC | InChI=1S/C2H8N2/c1-3-4-2/h3-4H,1-2H3 | DIIIISSCIXVANO-UHFFFAOYSA-N | C2H8N2 | 60.1 | 60.068748 | -0.4 | 24.1 | 6 | 0 | 2 | 2 | 1 | 4 | 5 °F | 177.8 °F at 760 mmHg (USCG, 1999) | 0 | 1 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,1-DICHLORO-1-NITROETHANE | 000594-72-9 | 11,674 | 1,1-dichloro-1-nitroethane | CC([N+](=O)[O-])(Cl)Cl | InChI=1S/C2H3Cl2NO2/c1-2(3,4)5(6)7/h1H3 | OQOGEOLRYAOSKO-UHFFFAOYSA-N | C2H3Cl2NO2 | 143.95 | 142.954084 | 1.6 | 45.8 | 86 | 0 | 0 | 2 | 0 | 7 | 168 °F (NTP, 1992) | 255 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
1,4-DICHLORO-2-BUTENE | 000764-41-0 | 15,122 | 1,4-dichlorobut-2-ene | C(C=CCCl)Cl | InChI=1S/C4H6Cl2/c5-3-1-2-4-6/h1-2H,3-4H2 | FQDIANVAWVHZIR-UHFFFAOYSA-N | C4H6Cl2 | 124.99 | 123.984656 | 1.7 | 0 | 34 | 0 | 0 | 0 | 2 | 6 | null | 313 °F at 760 mmHg (USCG, 1999) | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
3-MERCAPTO-1-PROPANOL | 019721-22-3 | 88,211 | 3-sulfanylpropan-1-ol | C(CO)CS | InChI=1S/C3H8OS/c4-2-1-3-5/h4-5H,1-3H2 | SHLSSLVZXJBVHE-UHFFFAOYSA-N | C3H8OS | 92.16 | 92.029586 | 0.2 | 21.2 | 16 | 0 | 2 | 2 | 2 | 5 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CHLOROACETONITRILE | 000107-14-2 | 7,856 | 2-chloroacetonitrile | C(C#N)Cl | InChI=1S/C2H2ClN/c3-1-2-4/h1H2 | RENMDAKOXSCIGH-UHFFFAOYSA-N | C2H2ClN | 75.5 | 74.987577 | 0.5 | 23.8 | 41 | 0 | 0 | 1 | 0 | 4 | 118 °F (NTP, 1992) | 259 to 261 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CHLOROACETALDEHYDE | 000107-20-0 | 33 | 2-chloroacetaldehyde | C(C=O)Cl | InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2 | QSKPIOLLBIHNAC-UHFFFAOYSA-N | C2H3ClO | 78.5 | 77.987242 | 0.3 | 17.1 | 20 | 0 | 0 | 1 | 1 | 4 | 190 °F (NTP, 1992) | 185 °F at 760 mmHg (NTP, 1992) | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
METHYL BROMOACETATE | 000096-32-2 | 60,984 | methyl 2-bromoacetate | COC(=O)CBr | InChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3 | YDCHPLOFQATIDS-UHFFFAOYSA-N | C3H5BrO2 | 152.97 | 151.94729 | 0.9 | 26.3 | 52 | 0 | 0 | 2 | 2 | 6 | null | 141 °C | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
HEXACHLOROBUTADIENE | 000087-68-3 | 6,901 | 1,1,2,3,4,4-hexachlorobuta-1,3-diene | C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl | InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10 | RWNKSTSCBHKHTB-UHFFFAOYSA-N | C4Cl6 | 260.8 | 259.810166 | 4.8 | 0 | 160 | 0 | 0 | 0 | 1 | 10 | 90 °C | 419 °F at 760 mmHg (NTP, 1992) | 1 | 1 | 1 | 1 | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 1 |
2,3-DICHLORO-1-PROPANOL | 000616-23-9 | 12,018 | 2,3-dichloropropan-1-ol | C(C(CCl)Cl)O | InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2 | ZXCYIJGIGSDJQQ-UHFFFAOYSA-N | C3H6Cl2O | 128.98 | 127.97957 | 0.8 | 20.2 | 32 | 0 | 1 | 1 | 2 | 6 | 196.5 °F (NTP, 1992) | 361 to 365 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ISOBUTYRIC ANHYDRIDE | 000097-72-3 | 7,346 | 2-methylpropanoyl 2-methylpropanoate | CC(C)C(=O)OC(=O)C(C)C | InChI=1S/C8H14O3/c1-5(2)7(9)11-8(10)6(3)4/h5-6H,1-4H3 | LSACYLWPPQLVSM-UHFFFAOYSA-N | C8H14O3 | 158.19 | 158.094294 | 2 | 43.4 | 141 | 0 | 0 | 3 | 4 | 11 | 139 °F (NFPA, 2010) | 181.5 °C @ 734 MM HG | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
DIMETHYLCYANAMIDE | 001467-79-4 | 15,112 | dimethylcyanamide | CN(C)C#N | InChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3 | OAGOUCJGXNLJNL-UHFFFAOYSA-N | C3H6N2 | 70.09 | 70.053098 | -0.2 | 27 | 56 | 0 | 0 | 2 | 0 | 5 | 160 °F (NTP, 1992) | 326.3 °F at 760 mmHg (NTP, 1992) | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
PHOSPHORODITHIOIC ACID, O,O-DIETHYL ESTER | 000298-06-6 | 9,274 | diethoxy-sulfanyl-sulfanylidene-lambda5-phosphane | CCOP(=S)(OCC)S | InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9) | IRDLUHRVLVEUHA-UHFFFAOYSA-N | C4H11O2PS2 | 186.2 | 185.993809 | 2.4 | 51.6 | 107 | 0 | 1 | 4 | 4 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HEXANOIC ACID, 2-PROPENYL ESTER | 000123-68-2 | 31,266 | prop-2-enyl hexanoate | CCCCCC(=O)OCC=C | InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 | RCSBILYQLVXLJG-UHFFFAOYSA-N | C9H16O2 | 156.22 | 156.11503 | 2.7 | 26.3 | 119 | 0 | 0 | 2 | 7 | 11 | null | 185.00 °C. @ 760.00 mm Hg | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
HEPTANOIC ACID, 2-PROPENYL ESTER | 000142-19-8 | 8,878 | prop-2-enyl heptanoate | CCCCCCC(=O)OCC=C | InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3 | SJWKGDGUQTWDRV-UHFFFAOYSA-N | C10H18O2 | 170.25 | 170.13068 | 3.2 | 26.3 | 130 | 0 | 0 | 2 | 8 | 12 | null | 210.00 to 212.00 °C. @ 760.00 mm Hg | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
2-PROPENAMIDE, N-(BUTOXYMETHYL)- | 001852-16-0 | 15,817 | N-(butoxymethyl)prop-2-enamide | CCCCOCNC(=O)C=C | InChI=1S/C8H15NO2/c1-3-5-6-11-7-9-8(10)4-2/h4H,2-3,5-7H2,1H3,(H,9,10) | UTSYWKJYFPPRAP-UHFFFAOYSA-N | C8H15NO2 | 157.21 | 157.110279 | 1.3 | 38.3 | 123 | 0 | 1 | 2 | 6 | 11 | null | null | 0 | 1 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 | 1 |
GLUTARALDEHYDE | 000111-30-8 | 3,485 | pentanedial | C(CC=O)CC=O | InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2 | SXRSQZLOMIGNAQ-UHFFFAOYSA-N | C5H8O2 | 100.12 | 100.05243 | -0.5 | 34.1 | 51 | 0 | 0 | 2 | 4 | 7 | >95 °C c.c. | 369 to 372 °F at 760 mmHg (decomposes) (NTP, 1992) | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 1 |
SILICIC ACID, LEAD SALT | 011120-22-2 | 61,535 | dioxido(oxo)silane;lead(2+) | [O-][Si](=O)[O-].[Pb+2] | InChI=1S/O3Si.Pb/c1-4(2)3;/q-2;+2 | AFPIWWDEGJLLCL-UHFFFAOYSA-N | O3PbSi | 283 | 283.93832 | null | 63.2 | 18 | 0 | 0 | 3 | 0 | 5 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 1 | 0 |
POTASSIUM HEXACHLOROPLATINATE(IV) | 016921-30-5 | 61,856 | dipotassium;hexachloroplatinum(2-) | Cl[Pt-2](Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+] | InChI=1S/6ClH.2K.Pt/h6*1H;;;/q;;;;;;2*+1;+4/p-6 | DPAIVKJGTXERIM-UHFFFAOYSA-H | Cl6K2Pt | 486 | 484.702373 | null | 0 | 62 | 0 | 0 | 1 | 0 | 9 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 0 | 0 |
POTASSIUM TETRACHLOROPLATINATE(II) | 010025-99-7 | 61,440 | dipotassium;tetrachloroplatinum(2-) | Cl[Pt-2](Cl)(Cl)Cl.[K+].[K+] | InChI=1S/4ClH.2K.Pt/h4*1H;;;/q;;;;2*+1;+2/p-4 | RVRDLMCWUILSAH-UHFFFAOYSA-J | Cl4K2Pt | 415.1 | 414.764668 | null | 0 | 19 | 0 | 0 | 1 | 0 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 |
PLATINATE(2-), TETRACHLORO-, DISODIUM, (SP-4-1)- | 010026-00-3 | 159,251 | disodium;platinum(2+);tetrachloride | [Na+].[Na+].[Cl-].[Cl-].[Cl-].[Cl-].[Pt+2] | InChI=1S/4ClH.2Na.Pt/h4*1H;;;/q;;;;2*+1;+2/p-4 | UXSGJRDAUMCHRP-UHFFFAOYSA-J | Cl4Na2Pt | 382.9 | 382.816794 | null | 0 | 0 | 0 | 0 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 1 | 0 | 0 |
SODIUM SULFIDE (NA2(SX)) | 001344-08-7 | 15,361,821 | null | [Na+].[Na+].[S-]S[S-] | InChI=1S/2Na.H2S3/c;;1-3-2/h;;1-2H/q2*+1;/p-2 | OLPXIHXXKBDZES-UHFFFAOYSA-L | Na2S3 | 142.2 | 141.895752 | null | 27.3 | 0 | 0 | 0 | 3 | 0 | 5 | null | null | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ARSENIC PENTOXIDE | 001303-28-2 | 14,771 | null | O=[As](=O)O[As](=O)=O | InChI=1S/As2O5/c3-1(4)7-2(5)6 | COHDHYZHOPQOFD-UHFFFAOYSA-N | As2O5 | 229.84 | 229.81776 | null | 77.5 | 123 | 0 | 0 | 5 | 0 | 7 | Not flammable (EPA, 1998) | Boiling point (-H2O): 160 °C /Hemihydrate/ | 1 | 0 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
SELENIUM DIOXIDE | 007446-08-4 | 24,007 | selenium dioxide | O=[Se]=O | InChI=1S/O2Se/c1-3-2 | JPJALAQPGMAKDF-UHFFFAOYSA-N | O2Se | 110.97 | 111.90635 | null | 34.1 | 18 | 0 | 0 | 2 | 0 | 3 | null | 599 °F at 760 mmHg (sublimes) (USCG, 1999) | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 1 | 0 |
POTASSIUM ARSENATE | 007784-41-0 | 516,881 | potassium dihydrogen arsorate | O[As](=O)(O)[O-].[K+] | InChI=1S/AsH3O4.K/c2-1(3,4)5;/h(H3,2,3,4,5);/q;+1/p-1 | GVPLVOGUVQAPNJ-UHFFFAOYSA-M | AsH2KO4 | 180.033 | 179.88061 | null | 80.6 | 61 | 0 | 2 | 4 | 0 | 6 | null | null | 1 | 0 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
OMETHOATE | 001113-02-6 | 14,210 | 2-dimethoxyphosphorylsulfanyl-N-methylacetamide | CNC(=O)CSP(=O)(OC)OC | InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7) | PZXOQEXFMJCDPG-UHFFFAOYSA-N | C5H12NO4PS | 213.19 | 213.022466 | -0.9 | 89.9 | 190 | 0 | 1 | 5 | 5 | 12 | null | Decomposes at about 135 °C | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
MALONONITRILE | 000109-77-3 | 8,010 | propanedinitrile | C(C#N)C#N | InChI=1S/C3H2N2/c4-2-1-3-5/h1H2 | CUONGYYJJVDODC-UHFFFAOYSA-N | C3H2N2 | 66.06 | 66.021798 | -0.5 | 47.6 | 82 | 0 | 0 | 2 | 0 | 5 | 266 °F (EPA, 1998) | 424 to 426 °F at 760 mmHg (EPA, 1998) | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
VANADIUM (V) TRICHLORIDE OXIDE | 007727-18-6 | 24,410 | oxovanadium;trihydrochloride | O=[V].Cl.Cl.Cl | InChI=1S/3ClH.O.V/h3*1H;; | JNKMSLLEOBTKQY-UHFFFAOYSA-N | Cl3H3OV | 176.32 | 174.868905 | null | 17.1 | 6 | 0 | 3 | 1 | 0 | 5 | null | null | 0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ETHOPROPHOS PESTANAL(R) | 013194-48-4 | 3,289 | 1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane | CCCSP(=O)(OCC)SCCC | InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3 | VJYFKVYYMZPMAB-UHFFFAOYSA-N | C8H19O2PS2 | 242.3 | 242.056409 | 3.6 | 76.9 | 152 | 0 | 0 | 4 | 8 | 13 | null | 187 to 196 °F at 0.2 mmHg (EPA, 1998) | 1 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
POTASSIUM ARSENITE | 010124-50-2 | 24,967 | potassium arsorite | [O-][As]([O-])[O-].[K+] | InChI=1S/AsO3.K/c2-1(3)4;/q-3;+1 | GLGWONYXPKJPGO-UHFFFAOYSA-N | AsKO3-2 | 162.018 | 161.870045 | null | 69.2 | 8 | -2 | 0 | 3 | 0 | 5 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
THIODICARB | 059669-26-0 | 62,155 | methyl N-[methyl-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamoyl]oxyethanimidothioate | CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC | InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3 | XDOTVMNBCQVZKG-UHFFFAOYSA-N | C10H18N4O4S3 | 354.5 | 354.049019 | 1.7 | 160 | 393 | 0 | 0 | 9 | 8 | 21 | null | null | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
DICHLORVOS | 000062-73-7 | 3,039 | 2,2-dichloroethenyl dimethyl phosphate | COP(=O)(OC)OC=C(Cl)Cl | InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3 | OEBRKCOSUFCWJD-UHFFFAOYSA-N | C4H7Cl2O4P | 220.97 | 219.945901 | 1.4 | 44.8 | 181 | 0 | 0 | 4 | 4 | 11 | Greater than 175F (EPA, 1998) | 284 °F at 20 mmHg (EPA, 1998) | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 |
1,1,1-TRIFLUORO-N-((TRIFLUOROMETHYL)SULFONYL)METHANESULFONAMIDE | 082113-65-3 | 157,857 | 1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide | C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F | InChI=1S/C2HF6NO4S2/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h9H | ZXMGHDIOOHOAAE-UHFFFAOYSA-N | C2HF6NO4S2 | 281.16 | 280.925119 | 1.3 | 97.1 | 374 | 0 | 1 | 11 | 2 | 15 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
CHLOROACETIC ACID | 000079-11-8 | 300 | 2-chloroacetic acid | C(C(=O)O)Cl | InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5) | FOCAUTSVDIKZOP-UHFFFAOYSA-N | C2H3ClO2 | 94.5 | 93.982157 | 0.2 | 37.3 | 42 | 0 | 1 | 2 | 1 | 5 | 302 °F (EPA, 1998) | 372 °F at 760 mmHg (EPA, 1998) | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
POTASSIUM FLUORIDE | 007789-23-3 | 522,689 | potassium fluoride | [F-].[K+] | InChI=1S/FH.K/h1H;/q;+1/p-1 | NROKBHXJSPEDAR-UHFFFAOYSA-M | FK | 58.0967 | 57.96211 | null | 0 | 2 | 0 | 0 | 1 | 0 | 2 | null | 2741 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
AMMONIUM HEXAFLUOROSILICATE | 016919-19-0 | 28,145 | diazanium;hexafluorosilicon(2-) | [NH4+].[NH4+].F[Si-2](F)(F)(F)(F)F | InChI=1S/F6Si.2H3N/c1-7(2,3,4,5)6;;/h;2*1H3/q-2;;/p+2 | ITHIMUMYFVCXSL-UHFFFAOYSA-P | F6H8N2Si | 178.153 | 178.036094 | null | 2 | 62 | 0 | 2 | 7 | 0 | 9 | null | null | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
ANTIMONY (III) FLUORIDE | 007783-56-4 | 24,554 | trifluorostibane | F[Sb](F)F | InChI=1S/3FH.Sb/h3*1H;/q;;;+3/p-3 | GUNJVIDCYZYFGV-UHFFFAOYSA-K | F3Sb | 178.755 | 177.89902 | null | 0 | 8 | 0 | 0 | 3 | 0 | 4 | null | 376 °C | 0 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
CARBON TETRACHLORIDE | 000056-23-5 | 5,943 | tetrachloromethane | C(Cl)(Cl)(Cl)Cl | InChI=1S/CCl4/c2-1(3,4)5 | VZGDMQKNWNREIO-UHFFFAOYSA-N | CCl4 | 153.8 | 153.872461 | 2.8 | 0 | 19 | 0 | 0 | 0 | 0 | 5 | null | 170.1 °F at 760 mmHg (NTP, 1992) | 0 | 1 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
SULFUR MONOCHLORIDE | 010025-67-9 | 24,807 | chlorosulfanyl thiohypochlorite | S(SCl)Cl | InChI=1S/Cl2S2/c1-3-4-2 | PXJJSXABGXMUSU-UHFFFAOYSA-N | Cl2S2 | 135 | 133.881848 | 2.5 | 50.6 | 6 | 0 | 0 | 2 | 0 | 4 | 245 °F (USCG, 1999) | 280 °F at 760 mmHg (USCG, 1999) | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 |
ARSENIC METAL | 007440-38-2 | 5,359,596 | arsenic | [As] | InChI=1S/As | RQNWIZPPADIBDY-UHFFFAOYSA-N | As | 74.92159 | 74.921595 | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | null | 1135 °F at 760 mmHg (sublimes) (USCG, 1999) | 1 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
NICKEL CHLORIDE | 007718-54-9 | 24,385 | dichloronickel | Cl[Ni]Cl | InChI=1S/2ClH.Ni/h2*1H;/q;;+2/p-2 | QMMRZOWCJAIUJA-UHFFFAOYSA-L | Cl2Ni | 129.6 | 127.873047 | null | 0 | 2 | 0 | 0 | 0 | 0 | 3 | null | Sublimes @ 973 °C; deliquesces | 1 | 0 | 1 | 1 | 0 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 1 | 1 | 1 | 0 |
2-HYDROXYPROPYL ACRYLATE | 000999-61-1 | 61,249 | 2-hydroxypropyl prop-2-enoate | CC(COC(=O)C=C)O | InChI=1S/C6H10O3/c1-3-6(8)9-4-5(2)7/h3,5,7H,1,4H2,2H3 | GWZMWHWAWHPNHN-UHFFFAOYSA-N | C6H10O3 | 130.14 | 130.062994 | 0.3 | 46.5 | 109 | 0 | 1 | 3 | 4 | 9 | 149 °F (closed cup) | BP: 70 °C at 2 mm Hg | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
SELENIUM METAL (POWDER) | 007782-49-2 | 6,326,970 | selenium | [Se] | InChI=1S/Se | BUGBHKTXTAQXES-UHFFFAOYSA-N | Se | 78.97 | 79.91652 | null | 0 | 0 | 0 | 0 | 0 | 0 | 1 | null | 1265 °F at 760 mmHg (NIOSH, 2024) | 0 | 0 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
MANGANESE CHLORIDE, TETRAHYDRATE | 013446-34-9 | 643,989 | dichloromanganese;tetrahydrate | O.O.O.O.Cl[Mn]Cl | InChI=1S/2ClH.Mn.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2 | CNFDGXZLMLFIJV-UHFFFAOYSA-L | Cl2H8MnO4 | 197.9 | 196.918007 | null | 4 | 2 | 0 | 4 | 4 | 0 | 7 | null | null | 0 | 0 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 |
HYDROXYPROPYL ACRYLATE | 025584-83-2 | 16,213,126 | propane-1,2-diol;prop-2-enoic acid | CC(CO)O.C=CC(=O)O | InChI=1S/C3H8O2.C3H4O2/c1-3(5)2-4;1-2-3(4)5/h3-5H,2H2,1H3;2H,1H2,(H,4,5) | AYEFIAVHMUFQPZ-UHFFFAOYSA-N | C6H12O4 | 148.16 | 148.073559 | null | 77.8 | 76 | 0 | 3 | 4 | 2 | 10 | 207 °F (NFPA, 2010) | Decomposes at one atmosphere | 0 | 1 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 1 | 0 | 0 |
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