Datasets:
Anonymous-07
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SafeChem

Dataset card Data Studio Files
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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
TRIETHYLENETETRAMINE [N-(2-AMINOETHYL)-1,4-PIPERAZINEDIETHANAMINE]
031295-46-2
160,198
N'-[2-[bis(2-aminoethyl)amino]ethyl]ethane-1,2-diamine
C(CNCCN(CCN)CCN)N
InChI=1S/C8H23N5/c9-1-4-12-5-8-13(6-2-10)7-3-11/h12H,1-11H2
ZORWGXDYTKQJQG-UHFFFAOYSA-N
C8H23N5
189.3
189.195346
-3
93.3
92
0
4
5
9
13
null
null
0
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
3-(AZIDOPROPYL)TRIETHOXYSILANE
083315-69-9
18,519,390
3-azidopropyl(triethoxy)silane
CCO[Si](CCCN=[N+]=[N-])(OCC)OCC
InChI=1S/C9H21N3O3Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-12-10/h4-9H2,1-3H3
DHFNCWQATZVOGB-UHFFFAOYSA-N
C9H21N3O3Si
247.37
247.135218
null
42.1
205
0
0
5
10
16
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM FERROCYANIDE
013601-19-9
26,129
tetrasodium;iron(2+);hexacyanide
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Na+].[Na+].[Na+].[Na+].[Fe+2]
InChI=1S/6CN.Fe.4Na/c6*1-2;;;;;/q6*-1;+2;4*+1
GTSHREYGKSITGK-UHFFFAOYSA-N
C6FeN6Na4
303.91
303.912457
null
143
127
0
0
12
0
17
null
null
0
1
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
IRON(II) OXALATE DIHYDRATE
006047-25-2
10,589
iron(2+);oxalate
C(=O)(C(=O)[O-])[O-].[Fe+2]
InChI=1S/C2H2O4.Fe/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
OWZIYWAUNZMLRT-UHFFFAOYSA-L
C2FeO4
143.86
143.914594
null
80.3
60
0
0
4
0
7
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
IRON(III) OXALATE
002944-66-3
168,963
bis(iron(3+));oxalate
C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Fe+3].[Fe+3]
InChI=1S/3C2H2O4.2Fe/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
VEPSWGHMGZQCIN-UHFFFAOYSA-H
C6Fe2O12
375.75
375.808847
null
241
60
0
0
12
0
20
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
SULFLURAMID
004151-50-2
77,797
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
CCNS(=O)(=O)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
InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3
CCEKAJIANROZEO-UHFFFAOYSA-N
C10H6F17NO2S
527.2
526.984778
5.6
54.6
763
0
1
20
9
31
null
196 °C
0
1
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
HYDRAZINE, ETHYL-, ETHANEDIOATE (1:1)
006629-60-3
96,181
ethylhydrazine;oxalic acid
CCNN.C(=O)(C(=O)O)O
InChI=1S/C2H8N2.C2H2O4/c1-2-4-3;3-1(4)2(5)6/h4H,2-3H2,1H3;(H,3,4)(H,5,6)
DUMHBFMURBWDPC-UHFFFAOYSA-N
C4H10N2O4
150.13
150.064057
null
113
79
0
4
6
2
10
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
GUANIDINE THIOCYANATE
000593-84-0
65,046
guanidine;thiocyanic acid
C(#N)S.C(=N)(N)N
InChI=1S/CH5N3.CHNS/c2-1(3)4;2-1-3/h(H5,2,3,4);3H
ZJYYHGLJYGJLLN-UHFFFAOYSA-N
C2H6N4S
118.16
118.031317
null
101
57
0
4
3
0
7
null
null
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
2-BROMOHEXANOIC ACID
000616-05-7
12,013
2-bromohexanoic acid
CCCCC(C(=O)O)Br
InChI=1S/C6H11BrO2/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
HZTPKMIMXLTOSK-UHFFFAOYSA-N
C6H11BrO2
195.05
193.99424
2.4
37.3
93
0
1
2
4
9
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TRIBUTYLPHOSPHINE OXIDE
000814-29-9
13,138
1-dibutylphosphorylbutane
CCCCP(=O)(CCCC)CCCC
InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3
MNZAKDODWSQONA-UHFFFAOYSA-N
C12H27OP
218.32
218.179953
3.1
17.1
137
0
0
1
9
14
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-METHYL-1,5-PENTANEDIAMINE
015520-10-2
85,862
2-methylpentane-1,5-diamine
CC(CCCN)CN
InChI=1S/C6H16N2/c1-6(5-8)3-2-4-7/h6H,2-5,7-8H2,1H3
JZUHIOJYCPIVLQ-UHFFFAOYSA-N
C6H16N2
116.2
116.131349
-0.1
52
45
0
2
2
4
8
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
IODINE, ISOTOPE OF MASS 125
014158-31-7
131,873,571
iodane
[125IH]
InChI=1S/I/i1-2
ZCYVEMRRCGMTRW-YPZZEJLDSA-N
I
124.90463
124.90463
0.9
0
0
0
0
0
0
1
null
null
1
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
1
ETHANOL, 2-BUTOXY-, PHOSPHATE
039454-62-1
170,210
2-butoxyethanol;phosphoric acid
CCCCOCCO.OP(=O)(O)O
InChI=1S/C6H14O2.H3O4P/c1-2-3-5-8-6-4-7;1-5(2,3)4/h7H,2-6H2,1H3;(H3,1,2,3,4)
GOVVUSWLMILHDF-UHFFFAOYSA-N
C6H17O6P
216.17
216.076275
null
107
87
0
4
6
5
13
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ZIRCONIUM(IV) ACETYLACETONATE
017501-44-9
14,693,848
tetrakis(pentane-2,4-dione);zirconium(4+)
CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Zr+4]
InChI=1S/4C5H7O2.Zr/c4*1-4(6)3-5(2)7;/h4*3H,1-2H3;/q4*-1;+4
DFPGFWYWSAYLCW-UHFFFAOYSA-N
C20H28O8Zr
487.7
486.083117
null
137
439
0
0
12
8
29
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TETRAMETHYLAMMONIUM FLUORIDE
000373-68-2
67,803
tetramethylazanium fluoride
C[N+](C)(C)C.[F-]
InChI=1S/C4H12N.FH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1
GTDKXDWWMOMSFL-UHFFFAOYSA-M
C4H12FN
93.14
93.095378
null
0
19
0
0
1
0
6
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
MAGNESIUM 2,4-PENTANEDIONATE, DIHYDRATE
068488-07-3
78,759,299
magnesium;bis((E)-4-oxopent-2-en-2-olate);dihydrate
C/C(=C\C(=O)C)/[O-].C/C(=C\C(=O)C)/[O-].O.O.[Mg+2]
InChI=1S/2C5H8O2.Mg.2H2O/c2*1-4(6)3-5(2)7;;;/h2*3,6H,1-2H3;;2*1H2/q;;+2;;/p-2/b2*4-3+;;;
LDRHDOBLZDBGOP-VVDZMTNVSA-L
C10H18MgO6
258.55
258.09538
null
82.3
90
0
2
6
2
17
null
null
0
1
1
1
0
1
0
1
0
0
0
0
0
0
0
0
1
0
0
1
S-METHYLISOTHIOSEMICARBAZIDE HYDROIODIDE
035600-34-1
2,774,472
methyl N'-aminocarbamimidothioate;hydroiodide
CSC(=NN)N.I
InChI=1S/C2H7N3S.HI/c1-6-2(3)5-4;/h4H2,1H3,(H2,3,5);1H
NYMQJWVULPQXBK-UHFFFAOYSA-N
C2H8IN3S
233.08
232.94837
null
89.7
59
0
3
3
1
7
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ACETIC ACID, MERCAPTO-, 1,2-ETHANEDIYL ESTER
000123-81-9
61,059
2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
C(COC(=O)CS)OC(=O)CS
InChI=1S/C6H10O4S2/c7-5(3-11)9-1-2-10-6(8)4-12/h11-12H,1-4H2
PSYGHMBJXWRQFD-UHFFFAOYSA-N
C6H10O4S2
210.3
210.002051
0.6
54.6
142
0
2
6
7
12
null
null
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
1
SILANE, TRIHEXYL-
002929-52-4
6,327,464
null
CCCCCC[Si](CCCCCC)CCCCCC
InChI=1S/C18H39Si/c1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3
ISPSHPOFLYFIRR-UHFFFAOYSA-N
C18H39Si
283.6
283.282103
null
0
127
0
0
0
15
19
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
HEXANE, 2,5-DICHLORO-2,5-DIMETHYL-
006223-78-5
80,360
2,5-dichloro-2,5-dimethylhexane
CC(C)(CCC(C)(C)Cl)Cl
InChI=1S/C8H16Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H2,1-4H3
HSTAGCWQAIXJQM-UHFFFAOYSA-N
C8H16Cl2
183.12
182.062906
3.4
0
91
0
0
0
3
10
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
1-HEXADECANAMINIUM, N,N,N-TRIMETHYL-, SULFATE (1:1)
068214-07-3
109,763
hexadecyl(trimethyl)azanium;hydrogen sulfate
CCCCCCCCCCCCCCCC[N+](C)(C)C.OS(=O)(=O)[O-]
InChI=1S/C19H42N.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5(2,3)4/h5-19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1
UCRJJNVFJGKYQT-UHFFFAOYSA-M
C19H43NO4S
381.6
381.29128
null
85.8
257
0
1
4
15
25
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-ETHYLHEXYL NITRATE
027247-96-7
62,823
2-ethylhexyl nitrate
CCCCC(CC)CO[N+](=O)[O-]
InChI=1S/C8H17NO3/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3
NKRVGWFEFKCZAP-UHFFFAOYSA-N
C8H17NO3
175.23
175.120843
4
55.1
122
0
0
3
6
12
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
PROPANENITRILE, 2,3-DIBROMO-
004554-16-9
107,299
2,3-dibromopropanenitrile
C(C(C#N)Br)Br
InChI=1S/C3H3Br2N/c4-1-3(5)2-6/h3H,1H2
ARRIEYYNOLTVTE-UHFFFAOYSA-N
C3H3Br2N
212.87
212.86117
1.6
23.8
72
0
0
1
1
6
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SODIUM THIOCYANATE
000540-72-7
516,871
sodium thiocyanate
C(#N)[S-].[Na+]
InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1
VGTPCRGMBIAPIM-UHFFFAOYSA-M
CNNaS
81.07
80.964914
null
24.8
34
0
0
2
0
4
null
null
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
COBALT(II) BROMIDE
007789-43-7
24,610
dibromocobalt
[Co](Br)Br
InChI=1S/2BrH.Co/h2*1H;/q;;+2/p-2
BZRRQSJJPUGBAA-UHFFFAOYSA-L
Br2Co
218.74
218.76782
null
0
2
0
0
0
0
3
Not Applicable. Not flammable. (USCG, 1999)
Loses 4 H2O at 212 °F. and all H2O at 266 °F. (USCG, 1999)
1
1
1
1
0
1
1
1
0
0
1
0
0
0
1
0
1
1
0
1
STANNOUS OXALATE
000814-94-8
13,149
oxalate;tin(2+)
C(=O)(C(=O)[O-])[O-].[Sn+2]
InChI=1S/C2H2O4.Sn/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
OQBLGYCUQGDOOR-UHFFFAOYSA-L
C2O4Sn
206.73
207.881861
null
80.3
60
0
0
4
0
7
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
1
0
1
1
1
0
1-OCTANOL, ANHYDROUS
000111-87-5
957
octan-1-ol
CCCCCCCCO
InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
KBPLFHHGFOOTCA-UHFFFAOYSA-N
C8H18O
130.23
130.135765
3
20.2
43
0
1
1
6
9
178 °F (USCG, 1999)
383 °F at 760 mmHg (USCG, 1999)
0
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
OXALIC ACID, DIHYDRATE
006153-56-6
61,373
oxalic acid;dihydrate
C(=O)(C(=O)O)O.O.O
InChI=1S/C2H2O4.2H2O/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H2
GEVPUGOOGXGPIO-UHFFFAOYSA-N
C2H6O6
126.07
126.016438
null
76.6
71
0
4
6
1
8
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
1
0
BIS(2-ETHYLHEXYL)PHOSPHATE
000298-07-7
9,275
bis(2-ethylhexyl) hydrogen phosphate
CCCCC(CC)COP(=O)(O)OCC(CC)CCCC
InChI=1S/C16H35O4P/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)
SEGLCEQVOFDUPX-UHFFFAOYSA-N
C16H35O4P
322.42
322.227297
5.2
55.8
259
0
1
4
14
21
385 °F (USCG, 1999)
155 °C at 0.015 mm Hg
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
POTASSIUM TRIHYDROGEN DIOXALATE DIHYDRATE
006100-20-5
23,664,780
potassium;2-hydroxy-2-oxoacetate;oxalic acid;dihydrate
C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.O.O.[K+]
InChI=1S/2C2H2O4.K.2H2O/c2*3-1(4)2(5)6;;;/h2*(H,3,4)(H,5,6);;2*1H2/q;;+1;;/p-1
KPFHSTZUXXJAES-UHFFFAOYSA-M
C4H7KO10
254.19
253.967628
null
154
159
0
5
10
2
15
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
POTASSIUM OXALATE, MONOHYDRATE
006487-48-5
2,724,193
dipotassium;oxalate;hydrate
C(=O)(C(=O)[O-])[O-].O.[K+].[K+]
InChI=1S/C2H2O4.2K.H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;;1H2/q;2*+1;/p-2
QCPTVXCMROGZOL-UHFFFAOYSA-L
C2H2K2O5
184.23
183.917636
null
81.3
60
0
1
5
0
9
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
CUPRIC OXALATE
005893-66-3
13,148
copper oxalate
C(=O)(C(=O)[O-])[O-].[Cu+2]
InChI=1S/C2H2O4.Cu/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
QYCVHILLJSYYBD-UHFFFAOYSA-L
C2CuO4
151.56
150.909256
null
80.3
60
0
0
4
0
7
null
null
1
1
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
AMMONIUM OXALATE (ANHYDROUS)
001113-38-8
14,213
diazanium;oxalate
C(=O)(C(=O)[O-])[O-].[NH4+].[NH4+]
InChI=1S/C2H2O4.2H3N/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);2*1H3
VBIXEXWLHSRNKB-UHFFFAOYSA-N
C2H8N2O4
124.1
124.048407
null
82.3
60
0
2
4
0
8
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
CADMIUM STEARATE
002223-93-0
16,681
cadmium(2+);bis(octadecanoate)
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Cd+2]
InChI=1S/2C18H36O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
GWOWVOYJLHSRJJ-UHFFFAOYSA-L
C36H70CdO4
679.4
680.430776
null
80.3
196
0
0
4
30
41
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
DIISOPROPYL SULFATE
002973-10-6
18,096
dipropan-2-yl sulfate
CC(C)OS(=O)(=O)OC(C)C
InChI=1S/C6H14O4S/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
HWBLTYHIEYOAOL-UHFFFAOYSA-N
C6H14O4S
182.24
182.06128
1.3
61
171
0
0
4
4
11
null
null
0
1
0
1
0
1
0
1
0
0
0
0
0
0
0
0
1
0
0
0
METHACRYLIC ANHYDRIDE
000760-93-0
12,974
2-methylprop-2-enoyl 2-methylprop-2-enoate
CC(=C)C(=O)OC(=O)C(=C)C
InChI=1S/C8H10O3/c1-5(2)7(9)11-8(10)6(3)4/h1,3H2,2,4H3
DCUFMVPCXCSVNP-UHFFFAOYSA-N
C8H10O3
154.16
154.062994
1.8
43.4
201
0
0
3
4
11
null
192 °F at 5 mmHg (EPA, 1998)
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
TRISODIUM EDETATE
000150-38-9
9,008
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+]
InChI=1S/C10H16N2O8.3Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;/q;3*+1/p-3
QZKRHPLGUJDVAR-UHFFFAOYSA-K
C10H13N2Na3O8
358.19
358.036498
null
164
351
0
1
10
8
23
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
2-ACRYLAMIDO-2-METHYL-1-PROPANESULFONIC
015214-89-8
65,360
2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
CC(C)(CS(=O)(=O)O)NC(=O)C=C
InChI=1S/C7H13NO4S/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12)
XHZPRMZZQOIPDS-UHFFFAOYSA-N
C7H13NO4S
207.25
207.056529
-0.4
91.9
299
0
2
4
4
13
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2,2'(ETHYLENEBIS(OXY))BISACETIC ACID
023243-68-7
90,039
2-[2-(carboxymethoxy)ethoxy]acetic acid
C(COCC(=O)O)OCC(=O)O
InChI=1S/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
CQWXKASOCUAEOW-UHFFFAOYSA-N
C6H10O6
178.14
178.047738
-0.9
93.1
136
0
2
6
7
12
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
1H,1H-PERFLUORO-1-NONANOL
000423-56-3
533,991
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononan-1-ol
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)O
InChI=1S/C9H3F17O/c10-2(11,1-27)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h27H,1H2
BSXJTDJJVULBTQ-UHFFFAOYSA-N
C9H3F17O
450.09
449.991244
5.3
20.2
543
0
1
18
7
27
null
null
0
0
1
1
0
1
0
1
0
0
0
0
0
1
0
0
1
0
1
1
N-ETHYL-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-N-(2-HYDROXYETHYL)-1-OCTANESULFONAMIDE
001691-99-2
74,322
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)octane-1-sulfonamide
CCN(CCO)S(=O)(=O)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
InChI=1S/C12H10F17NO3S/c1-2-30(3-4-31)34(32,33)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h31H,2-4H2,1H3
HUFHNYZNTFSKCT-UHFFFAOYSA-N
C12H10F17NO3S
571.25
571.010993
5.1
66
830
0
1
21
11
34
null
null
0
0
1
1
0
1
1
0
0
0
0
0
0
1
0
0
0
0
1
0
GLYCINE, N-ETHYL-N-[(HEPTADECAFLUOROOCTYL)SULFONYL]-
002991-50-6
18,134
2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]acetic acid
CCN(CC(=O)O)S(=O)(=O)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
InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)
CKRXVVGETMYFIO-UHFFFAOYSA-N
C12H8F17NO4S
585.24
584.990258
5.4
83.1
905
0
1
22
11
35
null
null
0
0
1
1
0
1
1
1
0
0
0
0
0
1
0
0
1
0
1
1
BARIUM HYDROXIDE MONOHYDRATE
022326-55-2
16,211,219
barium(2+);dihydroxide;hydrate
O.[OH-].[OH-].[Ba+2]
InChI=1S/Ba.3H2O/h;3*1H2/q+2;;;/p-2
GKQTUHKAQKWLIN-UHFFFAOYSA-L
BaH4O3
189.36
189.921291
null
3
2
0
3
3
0
4
null
null
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TRIS(HYDROXYMETHYL)NITROMETHANE
000126-11-4
31,337
2-(hydroxymethyl)-2-nitropropane-1,3-diol
C(C(CO)(CO)[N+](=O)[O-])O
InChI=1S/C4H9NO5/c6-1-4(2-7,3-8)5(9)10/h6-8H,1-3H2
OLQJQHSAWMFDJE-UHFFFAOYSA-N
C4H9NO5
151.12
151.048072
-2.2
107
107
0
3
5
3
10
null
null
1
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
ANTIMONY(III) ACETATE
006923-52-0
23,354
antimony(3+) triacetate
CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sb+3]
InChI=1S/3C2H4O2.Sb/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
JVLRYPRBKSMEBF-UHFFFAOYSA-K
C6H9O6Sb
298.89
297.94372
null
120
25
0
0
6
0
13
null
null
0
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
1-BUTANOL, ANTIMONY(3+) SALT
002155-74-0
102,217
antimony(3+);tris(butan-1-olate)
CCCC[O-].CCCC[O-].CCCC[O-].[Sb+3]
InChI=1S/3C4H9O.Sb/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3
YGBFTDQFAKDXBZ-UHFFFAOYSA-N
C12H27O3Sb
341.1
340.09983
null
69.2
13
0
0
3
6
16
null
null
0
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
ANTIMONY (III) SULFATE
007446-32-4
24,010
bis(antimony(3+));trisulfate
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Sb+3].[Sb+3]
InChI=1S/3H2O4S.2Sb/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);;/q;;;2*+3/p-6
MVMLTMBYNXHXFI-UHFFFAOYSA-H
O12S3Sb2
531.7
531.66322
null
266
62
0
0
12
0
17
null
null
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
POTASSIUM PERFLUOROOCTANOATE
002395-00-8
4,253,803
potassium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[K+]
InChI=1S/C8HF15O2.K/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1
WPDDXKNWUVLZMQ-UHFFFAOYSA-M
C8F15KO2
452.16
451.929583
null
40.1
536
0
0
17
6
26
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TRISODIUM TETRATHIOANTIMONATE
013776-84-6
13,751,471
null
[Na+].[Na+].[Na+].[SH-].[SH-].[SH-].S=[Sb]
InChI=1S/3Na.3H2S.S.Sb/h;;;3*1H2;;/q3*+1;;;;;/p-3
FBZSTSSPKIVXEO-UHFFFAOYSA-K
H3Na3S4Sb
322
320.78488
null
35.1
3
0
3
4
0
8
null
null
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
BUTANEDINITRILE, ETHYL-
017611-82-4
86,593
2-ethylbutanedinitrile
CCC(CC#N)C#N
InChI=1S/C6H8N2/c1-2-6(5-8)3-4-7/h6H,2-3H2,1H3
GDCJAPJJFZWILF-UHFFFAOYSA-N
C6H8N2
108.14
108.068748
0.5
47.6
142
0
0
2
2
8
null
null
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
CARBAMIC ACID, BUTYL-, 2-PROPYNYL ESTER
076114-73-3
10,877,354
prop-2-ynyl N-butylcarbamate
CCCCNC(=O)OCC#C
InChI=1S/C8H13NO2/c1-3-5-6-9-8(10)11-7-4-2/h2H,3,5-7H2,1H3,(H,9,10)
JTDBXHIIVZZXDH-UHFFFAOYSA-N
C8H13NO2
155.19
155.094629
1.3
38.3
157
0
1
2
5
11
null
null
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
NICKEL(II) SULFATE HEXAHYDRATE
010101-97-0
5,284,429
nickel(2+);sulfate;hexahydrate
O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Ni+2]
InChI=1S/Ni.H2O4S.6H2O/c;1-5(2,3)4;;;;;;/h;(H2,1,2,3,4);6*1H2/q+2;;;;;;;/p-2
RRIWRJBSCGCBID-UHFFFAOYSA-L
H12NiO10S
262.85
261.950459
null
94.6
62
0
6
10
0
12
null
Decomposes at 1544 °F (NTP, 1992)
1
0
1
1
0
1
1
0
0
0
1
0
0
1
1
0
1
1
1
0
LEAD CHLORIDE
007758-95-4
24,459
dichlorolead
Cl[Pb]Cl
InChI=1S/2ClH.Pb/h2*1H;/q;;+2/p-2
HWSZZLVAJGOAAY-UHFFFAOYSA-L
Cl2Pb
278
277.91436
null
0
2
0
0
0
0
3
null
1742 °F at 760 mmHg (USCG, 1999)
1
0
1
1
0
1
1
0
0
0
0
0
0
1
0
0
0
0
1
0
COBALT(II) CHLORIDE, HEXAHYDRATE
007791-13-1
24,643
cobalt(2+);dichloride;hexahydrate
O.O.O.O.O.O.[Cl-].[Cl-].[Co+2]
InChI=1S/2ClH.Co.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2
GFHNAMRJFCEERV-UHFFFAOYSA-L
Cl2CoH12O6
237.93
236.934287
null
6
0
0
6
8
0
9
null
null
1
0
1
1
0
1
1
1
0
0
1
0
0
1
1
0
0
1
0
0
LEAD ETHYLHEXANOATE
000301-08-6
160,451
bis(2-ethylhexanoate);lead(2+)
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Pb+2]
InChI=1S/2C8H16O2.Pb/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
RUCPTXWJYHGABR-UHFFFAOYSA-L
C16H30O4Pb
493
494.19106
null
80.3
93
0
0
4
8
21
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
LEAD CITRATE
000512-26-5
159,739
bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+))
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Pb+2].[Pb+2].[Pb+2]
InChI=1S/2C6H8O7.3Pb/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6
HOQPTLCRWVZIQZ-UHFFFAOYSA-H
C12H10O14Pb3
1,000
999.93482
null
281
211
0
2
14
4
29
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
LEAD TETRAACETATE
000546-67-8
11,025
lead(2+) tetraacetate
CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Pb+2]
InChI=1S/4C2H4O2.Pb/c4*1-2(3)4;/h4*1H3,(H,3,4);/q;;;;+2/p-4
ACKFDYCQCBEDNU-UHFFFAOYSA-J
C8H12O8Pb-2
443
444.02987
null
161
25
-2
0
8
0
17
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
PROPANOIC ACID, COBALT(2+) SALT
001560-69-6
62,409
cobalt(2+);propanoate
CCC(=O)[O-].CCC(=O)[O-].[Co+2]
InChI=1S/2C3H6O2.Co/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);/q;;+2/p-2
TZWGXFOSKIHUPW-UHFFFAOYSA-L
C6H10CoO4
205.07
204.991102
null
80.3
34
0
0
4
0
11
null
null
1
0
1
1
0
0
1
1
0
0
0
0
0
1
0
0
0
1
0
0
SULFURIC ACID, AMMONIUM COBALT(2+) SALT (2:2:1)
013596-46-8
26,125
diazanium;cobalt(2+);disulfate
[NH4+].[NH4+].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Co+2]
InChI=1S/Co.2H3N.2H2O4S/c;;;2*1-5(2,3)4/h;2*1H3;2*(H2,1,2,3,4)/q+2;;;;/p-2
NUHXWPRATKOXDB-UHFFFAOYSA-L
CoH8N2O8S2
287.14
286.905401
null
179
62
0
2
8
0
13
null
null
1
0
1
1
0
1
1
1
0
0
1
0
0
1
1
0
1
1
0
1
2-ETHYLHEXANOIC ACID, LEAD SALT
016996-40-0
61,864
2-ethylhexanoic acid;lead(2+)
CCCCC(CC)C(=O)O.[Pb+2]
InChI=1S/C8H16O2.Pb/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+2
QBENASORNMPSRU-UHFFFAOYSA-N
C8H16O2Pb+2
351
352.09168
null
37.3
99
2
1
2
5
11
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
ISONONANOIC ACID, LEAD SALT
027253-41-4
117,961
lead(2+);bis(7-methyloctanoate)
CC(C)CCCCCC(=O)[O-].CC(C)CCCCCC(=O)[O-].[Pb+2]
InChI=1S/2C9H18O2.Pb/c2*1-8(2)6-4-3-5-7-9(10)11;/h2*8H,3-7H2,1-2H3,(H,10,11);/q;;+2/p-2
ACUMJPUCLKGCOC-UHFFFAOYSA-L
C18H34O4Pb
521
522.22236
null
80.3
103
0
0
4
10
23
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
PHOSPHORIC ACID, BARIUM SALT (2:3)
013517-08-3
165,803
tris(barium(2+)) diphosphate
[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Ba+2].[Ba+2].[Ba+2]
InChI=1S/3Ba.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
WAKZZMMCDILMEF-UHFFFAOYSA-H
Ba3O8P2
601.9
603.622582
null
173
36
0
0
8
0
13
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ANTIMONY OXIDE
001327-33-9
74,002
dioxo(oxostibanyloxy)-lambda5-stibane
O=[Sb]O[Sb](=O)=O
InChI=1S/4O.2Sb
AHBGXHAWSHTPOM-UHFFFAOYSA-N
O4Sb2
307.52
307.78769
null
60.4
86
0
0
4
0
6
null
null
0
0
1
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
1
0
BARIUM TETRACYANOPLATINATE
000562-81-2
168,921
barium(2+);platinum(2+);tetracyanide
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Ba+2].[Pt+2]
InChI=1S/4CN.Ba.Pt/c4*1-2;;/q4*-1;2*+2
NYZDVLMJPDRZEA-UHFFFAOYSA-N
C4BaN4Pt
436.48
436.882337
null
95.2
10
0
0
8
0
10
null
null
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
ANTIMONY LEAD OXIDE (SB2PB3O8)
013510-89-9
134,687,277
bis(antimony(5+));tris(lead(2+));octakis(oxygen(2-))
[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Sb+5].[Sb+5].[Pb+2].[Pb+2].[Pb+2]
InChI=1S/8O.3Pb.2Sb/q8*-2;3*+2;2*+5
QVDJSOYTQRDSLZ-UHFFFAOYSA-N
O8Pb3Sb2
990
993.69511
null
8
0
0
0
8
0
13
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
BARIUM BROMIDE
010553-31-8
5,462,743
barium(2+) dibromide
[Br-].[Br-].[Ba+2]
InChI=1S/Ba.2BrH/h;2*1H/q+2;;/p-2
NKQIMNKPSDEDMO-UHFFFAOYSA-L
BaBr2
297.13
297.73987
null
0
0
0
0
2
0
3
null
null
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
TETRAFLUOROBORATE(1-), LEAD(2+) (2:1)
013814-96-5
12,598,180
lead(2+) ditetrafluoroborate
[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Pb+2]
InChI=1S/2BF4.Pb/c2*2-1(3,4)5;/q2*-1;+2
UQGXAENNKXXYNF-UHFFFAOYSA-N
B2F8Pb
381
381.98249
null
0
19
0
0
10
0
11
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
1
0
1
1
LEAD MONOXIDE
001317-36-8
14,827
oxolead
O=[Pb]
InChI=1S/O.Pb
YEXPOXQUZXUXJW-UHFFFAOYSA-N
OPb
223
223.97157
null
17.1
2
0
0
1
0
2
null
1472 °C
1
0
1
1
0
1
1
0
0
0
0
0
0
1
0
0
0
0
1
0
LEAD HYDROXIDE (PB(OH)2)
019783-14-3
9,859,601
lead(2+) dihydroxide
[OH-].[OH-].[Pb+2]
InChI=1S/2H2O.Pb/h2*1H2;/q;;+2/p-2
VNZYIVBHUDKWEO-UHFFFAOYSA-L
H2O2Pb
241
241.98213
null
2
0
0
2
2
0
3
null
null
1
0
1
1
0
1
1
0
0
0
0
0
0
1
0
0
0
0
1
0
LEAD(II) SULFATE
007446-14-2
24,008
lead(2+) sulfate
[O-]S(=O)(=O)[O-].[Pb+2]
InChI=1S/H2O4S.Pb/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2
KEQXNNJHMWSZHK-UHFFFAOYSA-L
O4PbS
303
303.92838
null
88.6
62
0
0
4
0
6
null
null
1
0
1
1
0
1
1
0
0
0
0
0
0
1
0
0
0
0
1
0
LEAD ACETATE, TRIHYDRATE
006080-56-4
22,456
lead(2+);diacetate;trihydrate
CC(=O)[O-].CC(=O)[O-].O.O.O.[Pb+2]
InChI=1S/2C2H4O2.3H2O.Pb/c2*1-2(3)4;;;;/h2*1H3,(H,3,4);3*1H2;/q;;;;;+2/p-2
MCEUZMYFCCOOQO-UHFFFAOYSA-L
C4H12O7Pb
379
380.03495
null
83.3
25
0
3
7
0
12
null
392 °F at 760 mmHg (decomposes) (NTP, 1992)
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
ETHYLENE GLYCOL METHYL ETHER ACETATE
000110-49-6
8,054
2-methoxyethyl acetate
CC(=O)OCCOC
InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3
XLLIQLLCWZCATF-UHFFFAOYSA-N
C5H10O3
118.13
118.062994
0
35.5
70
0
0
3
4
8
111 °F (NTP, 1992)
293 °F at 760 mmHg (NTP, 1992)
0
1
1
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
ISOBUTYRIC ACID
000079-31-2
6,590
2-methylpropanoic acid
CC(C)C(=O)O
InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
KQNPFQTWMSNSAP-UHFFFAOYSA-N
C4H8O2
88.11
88.052429
0.8
37.3
56
0
1
2
1
6
132 °F (NFPA, 2010)
309 °F at 760 mmHg (USCG, 1999)
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
N-HEXYL ALCOHOL
000111-27-3
8,103
hexan-1-ol
CCCCCCO
InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
ZSIAUFGUXNUGDI-UHFFFAOYSA-N
C6H14O
102.17
102.104465
2
20.2
27
0
1
1
4
7
145 °F (USCG, 1999)
314.8 °F at 760 mmHg (USCG, 1999)
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
2-BUTOXYETHANOL
000111-76-2
8,133
2-butoxyethanol
CCCCOCCO
InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3
POAOYUHQDCAZBD-UHFFFAOYSA-N
C6H14O2
118.17
118.09938
0.8
29.5
37
0
1
2
5
8
141 °F (NTP, 1992)
340 °F at 743 mmHg (NTP, 1992)
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
DIMETHYLCARBAMOYL CHLORIDE
000079-44-7
6,598
N,N-dimethylcarbamoyl chloride
CN(C)C(=O)Cl
InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3
YIIMEMSDCNDGTB-UHFFFAOYSA-N
C3H6ClNO
107.54
107.013792
0.8
20.3
61
0
0
1
0
6
155 °F (NTP, 1992)
329 to 333 °F at 760 mmHg (NTP, 1992)
0
0
1
1
0
1
0
1
0
0
0
0
0
0
0
0
1
0
0
1
3,3-DIAMINODIPROPYLAMINE
000056-18-8
5,942
N'-(3-aminopropyl)propane-1,3-diamine
C(CN)CNCCCN
InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
OTBHHUPVCYLGQO-UHFFFAOYSA-N
C6H17N3
131.22
131.142248
-1.4
64.1
41
0
3
3
6
9
175 °F (NTP, 1992)
465.1 °F at 760 mmHg (NTP, 1992)
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
1
0
0
BUTYRIC ANHYDRIDE
000106-31-0
7,798
butanoyl butanoate
CCCC(=O)OC(=O)CCC
InChI=1S/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H3
YHASWHZGWUONAO-UHFFFAOYSA-N
C8H14O3
158.19
158.094294
1.6
43.4
124
0
0
3
6
11
180 °F (NFPA, 2010)
200 °C
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
1,1,3,3-TETRAMETHYLUREA
000632-22-4
12,437
1,1,3,3-tetramethylurea
CN(C)C(=O)N(C)C
InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
AVQQQNCBBIEMEU-UHFFFAOYSA-N
C5H12N2O
116.16
116.094963
0.2
23.6
78
0
0
1
0
8
ABOUT 75 °C
176.5 °C
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
ETHYL METHANESULPHONATE
000062-50-0
6,113
ethyl methanesulfonate
CCOS(=O)(=O)C
InChI=1S/C3H8O3S/c1-3-6-7(2,4)5/h3H2,1-2H3
PLUBXMRUUVWRLT-UHFFFAOYSA-N
C3H8O3S
124.16
124.019415
0
51.8
118
0
0
3
2
7
212 °F (NTP, 1992)
415 to 416 °F at 761 mmHg (NTP, 1992)
0
0
0
1
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
0
3-AMINO-1-PROPANOL
000156-87-6
9,086
3-aminopropan-1-ol
C(CN)CO
InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
WUGQZFFCHPXWKQ-UHFFFAOYSA-N
C3H9NO
75.11
75.068414
-1.1
46.3
16
0
2
2
2
5
175 °F (USCG, 1999)
369.5 °F at 760 mmHg (USCG, 1999)
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
1-BUTENE, 2,3,4-TRICHLORO-
002431-50-7
17,073
2,3,4-trichlorobut-1-ene
C=C(C(CCl)Cl)Cl
InChI=1S/C4H5Cl3/c1-3(6)4(7)2-5/h4H,1-2H2
WZUZDBPJFHQVJC-UHFFFAOYSA-N
C4H5Cl3
159.44
157.945683
2.5
0
69
0
0
0
2
7
63 °C
60 °C @ 20 MM HG
1
0
1
1
0
1
1
1
0
0
0
0
0
0
0
0
1
0
0
1
2-BUTANONE, 1-CHLORO-3,3-DIMETHYL-
013547-70-1
83,572
1-chloro-3,3-dimethylbutan-2-one
CC(C)(C)C(=O)CCl
InChI=1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
ULSAJQMHTGKPIY-UHFFFAOYSA-N
C6H11ClO
134.6
134.049843
2
17.1
91
0
0
1
2
8
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
3-DIMETHYLAMINOPROPIONITRILE
001738-25-6
15,615
3-(dimethylamino)propanenitrile
CN(C)CCC#N
InChI=1S/C5H10N2/c1-7(2)5-3-4-6/h3,5H2,1-2H3
MTPJEFOSTIKRSS-UHFFFAOYSA-N
C5H10N2
98.15
98.084398
0
27
77
0
0
2
2
7
147 °F (NIOSH, 2024)
342 °F at 760 mmHg (NIOSH, 2024)
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
DIALLATE
002303-16-4
5,284,376
S-[(Z)-2,3-dichloroprop-2-enyl] N,N-di(propan-2-yl)carbamothioate
CC(C)N(C(C)C)C(=O)SC/C(=C/Cl)/Cl
InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-
SPANOECCGNXGNR-UITAMQMPSA-N
C10H17Cl2NOS
270.22
269.040791
3.6
45.6
234
0
0
2
5
15
77 °C
150 °C @ 9 MM HG
1
0
0
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
Stannane, butyltrichloro-
001118-46-3
14,236
butyl(trichloro)stannane
CCCC[Sn](Cl)(Cl)Cl
InChI=1S/C4H9.3ClH.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;3*1H;/q;;;;+3/p-3
YMLFYGFCXGNERH-UHFFFAOYSA-K
C4H9Cl3Sn
282.2
281.879186
null
0
58
0
0
0
2
8
81 °C (closed cup)
102 °C @ 12 mm Hg
1
0
1
1
0
0
1
1
0
0
1
0
0
1
0
0
1
0
1
1
2,2-AZOBIS(2-METHYLPROPANIMIDAMIDE) DIHYDROCHLORIDE
002997-92-4
76,344
2-[(1-amino-1-imino-2-methylpropan-2-yl)diazenyl]-2-methylpropanimidamide;dihydrochloride
CC(C)(C(=N)N)N=NC(C)(C)C(=N)N.Cl.Cl
InChI=1S/C8H18N6.2ClH/c1-7(2,5(9)10)13-14-8(3,4)6(11)12;;/h1-4H3,(H3,9,10)(H3,11,12);2*1H
LXEKPEMOWBOYRF-UHFFFAOYSA-N
C8H20Cl2N6
271.19
270.11265
null
124
248
0
6
4
4
16
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
CALCIUM CYANAMIDE
000156-62-7
56,955,933
calcium azanidylidenemethylideneazanide
C(=[N-])=[N-].[Ca+2]
InChI=1S/CN2.Ca/c2-1-3;/q-2;+2
MYFXBBAEXORJNB-UHFFFAOYSA-N
CCaN2
80.1
79.968739
null
2
18
0
0
2
0
4
null
Sublimes >2102 °F (NTP, 1992)
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
PHOSPHOROUS ACID
013598-36-2
407
phosphonic acid
OP(=O)O
InChI=1S/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)
ABLZXFCXXLZCGV-UHFFFAOYSA-N
H3O3P
81.996
81.981981
-1.6
57.5
26
0
2
3
0
4
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
(+/-)-2-METHYLBUTYRIC ACID
000600-07-7
8,314
2-methylbutanoic acid
CCC(C)C(=O)O
InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
WLAMNBDJUVNPJU-UHFFFAOYSA-N
C5H10O2
102.13
102.06808
1.2
37.3
68
0
1
2
2
7
null
176.00 to 177.00 °C. @ 760.00 mm Hg
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
CARBONOCHLORIDIC ACID, 3-CHLOROPROPYL ESTER
000628-11-5
69,399
3-chloropropyl carbonochloridate
C(COC(=O)Cl)CCl
InChI=1S/C4H6Cl2O2/c5-2-1-3-8-4(6)7/h1-3H2
MTXMEFUEBCFWCY-UHFFFAOYSA-N
C4H6Cl2O2
156.99
155.974485
2.1
26.3
74
0
0
2
4
8
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
1
0
METHANAMINIUM, N-(CHLOROMETHYLENE)-N-METHYL-, CHLORIDE
003724-43-4
77,311
chloromethylidene(dimethyl)azanium chloride
C[N+](=CCl)C.[Cl-]
InChI=1S/C3H7ClN.ClH/c1-5(2)3-4;/h3H,1-2H3;1H/q+1;/p-1
QQVDYSUDFZZPSU-UHFFFAOYSA-M
C3H7Cl2N
128
126.995555
null
3
44
0
0
1
0
6
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
0
NITRILOTRIACETIC ACID TRISODIUM
005064-31-3
21,152
trisodium;2-[bis(carboxylatomethyl)amino]acetate
C(C(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+]
InChI=1S/C6H9NO6.3Na/c8-4(9)1-7(2-5(10)11)3-6(12)13;;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;;/q;3*+1/p-3
DZCAZXAJPZCSCU-UHFFFAOYSA-K
C6H6NNa3O6
257.08
256.98882
null
124
171
0
0
7
3
16
null
null
0
0
0
1
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
PHOSPHORUS OXYCHLORIDE
010025-87-3
24,813
phosphoryl trichloride
O=P(Cl)(Cl)Cl
InChI=1S/Cl3OP/c1-5(2,3)4
XHXFXVLFKHQFAL-UHFFFAOYSA-N
Cl3OP
153.33
151.875235
1.7
17.1
53
0
0
1
0
5
Not Flammable (EPA, 1998)
223 °F at 760 mmHg (EPA, 1998)
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
1
0
BARIUM SULFIDE
021109-95-5
6,857,597
barium(2+) sulfide
[S-2].[Ba+2]
InChI=1S/Ba.S/q+2;-2
CJDPJFRMHVXWPT-UHFFFAOYSA-N
BaS
169.39
169.877318
null
1
0
0
0
1
0
2
null
null
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
COPPER (II) TETRAFLUOROBORATE HYDRATE
207121-39-9
170,058
copper ditetrafluoroborate
[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Cu+2]
InChI=1S/2BF4.Cu/c2*2-1(3,4)5;/q2*-1;+2
HMUNZEYTSRPVBE-UHFFFAOYSA-N
B2CuF8
237.16
236.935433
null
0
19
0
0
10
0
11
null
212 °F at 760 mmHg (approx.) (USCG, 1999)
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CHLOROPICRIN
000076-06-2
6,423
trichloro(nitro)methane
C([N+](=O)[O-])(Cl)(Cl)Cl
InChI=1S/CCl3NO2/c2-1(3,4)5(6)7
LFHISGNCFUNFFM-UHFFFAOYSA-N
CCl3NO2
164.37
162.899461
2.1
45.8
79
0
0
2
0
7
null
234 °F at 760 mmHg (NTP, 1992)
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
LITHIUM BIS(FLUOROSULFONYL)IMIDE
171611-11-3
86,277,430
lithium bis(fluorosulfonyl)azanide
[Li+].[N-](S(=O)(=O)F)S(=O)(=O)F
InChI=1S/F2NO4S2.Li/c1-8(4,5)3-9(2,6)7;/q-1;+1
VDVLPSWVDYJFRW-UHFFFAOYSA-N
F2LiNO4S2
187.1
186.939685
null
86
235
0
0
7
2
10
null
null
0
1
0
1
0
0
0
1
0
0
1
0
0
1
0
0
1
0
0
0
OCTANOIC ACID, 2-PROPENYL ESTER
004230-97-1
20,219
prop-2-enyl octanoate
CCCCCCCC(=O)OCC=C
InChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3
PZGMUSDNQDCNAG-UHFFFAOYSA-N
C11H20O2
184.27
184.14633
3.8
26.3
141
0
0
2
9
13
null
87.00 to 88.00 °C. @ 5.50 mm Hg
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
N-DECYL-N,N-DIMETHYL-1-DECANAMINIUM CHLORIDE
007173-51-5
23,558
didecyl(dimethyl)azanium chloride
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]
InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1
RUPBZQFQVRMKDG-UHFFFAOYSA-M
C22H48ClN
362.1
361.347528
null
0
200
0
0
1
18
24
null
>180 °C; decomposes before boiling at 1 atm /OECD Guideline 103/
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0