Datasets:
Anonymous-07
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SafeChem

Dataset card Data Studio Files
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1
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
CALCIUM CHROMATE
013765-19-0
26,264
calcium dioxido(dioxo)chromium
[O-][Cr](=O)(=O)[O-].[Ca+2]
InChI=1S/Ca.Cr.4O/q+2;;;;2*-1
RFAFBXGYHBOUMV-UHFFFAOYSA-N
CaCrO4
156.07
155.882754
null
80.3
62
0
0
4
0
6
null
null
1
0
0
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
CALCIUM DICHROMATE(CRVI)
014307-33-6
61,731
calcium oxido-(oxido(dioxo)chromio)oxy-dioxochromium
[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[Ca+2]
InChI=1S/Ca.2Cr.7O/q+2;;;;;;;;2*-1
RMISVBXFFXBNAD-UHFFFAOYSA-N
CaCr2O7
256.07
255.808003
null
124
194
0
0
7
0
10
null
null
0
0
0
1
0
1
1
0
0
0
0
0
0
0
0
0
0
1
0
0
TETRAFLUOROBORATE(1-), CADMIUM (2:1)
014486-19-2
12,886,773
cadmium(2+) ditetrafluoroborate
[B-](F)(F)(F)F.[B-](F)(F)(F)F.[Cd+2]
InChI=1S/2BF4.Cd/c2*2-1(3,4)5;/q2*-1;+2
NXOFSPIMFJTFSE-UHFFFAOYSA-N
B2CdF8
286.03
287.909201
null
0
19
0
0
10
0
11
null
null
0
0
0
1
0
1
1
0
0
0
0
0
0
0
1
0
1
1
0
0
HEXAFLUOROSILICATE(2-) ZINC (1:1)
016871-71-9
28,116
zinc hexafluorosilicon(2-)
F[Si-2](F)(F)(F)(F)F.[Zn+2]
InChI=1S/F6Si.Zn/c1-7(2,3,4,5)6;/q-2;+2
IRPUQLOSQCXHEW-UHFFFAOYSA-N
F6SiZn
207.5
205.896487
null
0
62
0
0
7
0
8
null
122 to 158 °F at 760 mmHg (decomposes) (USCG, 1999)
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-HEPTADECAFLUORO-1-OCTANESULFONIC ACID, AMMONIUM SALT
029081-56-9
120,124
azane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.N
InChI=1S/C8HF17O3S.H3N/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);1H3
UAWBWGUIUMQJIT-UHFFFAOYSA-N
C8H4F17NO3S
517.16
516.964043
null
63.8
727
0
2
21
7
30
null
null
0
0
1
1
0
1
1
0
0
0
0
0
0
1
0
0
0
0
1
0
CUPRIC SULFATE
007758-98-7
24,462
copper sulfate
[O-]S(=O)(=O)[O-].[Cu+2]
InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
ARUVKPQLZAKDPS-UHFFFAOYSA-L
CuO4S
159.61
158.881327
null
88.6
62
0
0
4
0
6
null
650 °C (decomp to cupric oxide)
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
BARIUM CARBONATE
000513-77-9
10,563
barium(2+) carbonate
C(=O)([O-])[O-].[Ba+2]
InChI=1S/CH2O3.Ba/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
AYJRCSIUFZENHW-UHFFFAOYSA-L
CBaO3
197.34
197.889991
null
63.2
18
0
0
3
0
5
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
BARIUM FLUORIDE
007787-32-8
62,670
barium(2+) difluoride
[F-].[F-].[Ba+2]
InChI=1S/Ba.2FH/h;2*1H/q+2;;/p-2
OYLGJCQECKOTOL-UHFFFAOYSA-L
BaF2
175.32
175.902053
null
0
2
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
BARIUM HEXAFLUOROSILICATE
017125-80-3
28,299
barium(2+);hexafluorosilicon(2-)
F[Si-2](F)(F)(F)(F)F.[Ba+2]
InChI=1S/Ba.F6Si/c;1-7(2,3,4,5)6/q+2;-2
RRLMRHFZRPYSNK-UHFFFAOYSA-N
BaF6Si
279.4
279.872593
null
0
62
0
0
7
0
8
null
null
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
OCTANOIC ACID, CALCIUM SALT
006107-56-8
16,610
calcium bis(octanoate)
CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ca+2]
InChI=1S/2C8H16O2.Ca/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
NDWWLJQHOLSEHX-UHFFFAOYSA-L
C16H30CaO4
326.48
326.177
null
80.3
83
0
0
4
10
21
null
null
0
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
ACETIC ACID, ISOTHIOCYANATO-, ETHYL ESTER
024066-82-8
32,202
ethyl 2-isothiocyanatoacetate
CCOC(=O)CN=C=S
InChI=1S/C5H7NO2S/c1-2-8-5(7)3-6-4-9/h2-3H2,1H3
IYPSSPPKMLXXRN-UHFFFAOYSA-N
C5H7NO2S
145.18
145.01975
2.1
70.8
140
0
0
4
4
9
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
1,2,3-TRICHLOROPROPANE
000096-18-4
7,285
1,2,3-trichloropropane
C(C(CCl)Cl)Cl
InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2
CFXQEHVMCRXUSD-UHFFFAOYSA-N
C3H5Cl3
147.43
145.945683
1.8
0
25
0
0
0
2
6
180 °F (NTP, 1992)
313 °F at 760 mmHg (NTP, 1992)
0
1
1
1
0
1
0
0
0
0
0
0
0
1
0
0
0
0
0
0
2-BROMO-2-NITRO-1,3-PROPANEDIOL
000052-51-7
2,450
2-bromo-2-nitropropane-1,3-diol
C(C(CO)([N+](=O)[O-])Br)O
InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2
LVDKZNITIUWNER-UHFFFAOYSA-N
C3H6BrNO4
199.99
198.94802
-0.6
86.3
107
0
2
4
2
9
167 °C
305.1 °F at 760 mmHg (NTP, 1992)
1
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
CADMIUM NITRATE
010325-94-7
25,154
cadmium(2+) dinitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cd+2]
InChI=1S/Cd.2NO3/c;2*2-1(3)4/q+2;2*-1
XIEPJMXMMWZAAV-UHFFFAOYSA-N
CdN2O6
236.42
237.879001
null
126
18
0
0
6
0
9
null
null
1
1
1
1
0
1
1
0
0
0
1
0
0
0
0
0
0
0
1
0
POTASSIUM HEPTADECAFLUOROOCTANE-1-SULFONATE
002795-39-3
23,669,238
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[K+]
InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1
WFRUBUQWJYMMRQ-UHFFFAOYSA-M
C8F17KO3S
538.22
537.893375
null
65.6
733
0
0
20
7
30
null
null
0
0
1
1
0
1
1
0
0
0
0
0
0
1
0
0
0
0
1
0
Bis(dimethyldithiocarbamato)Zinc
000137-30-4
8,722
zinc bis(N,N-dimethylcarbamodithioate)
CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2]
InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2
DUBNHZYBDBBJHD-UHFFFAOYSA-L
C6H12N2S4Zn
305.8
303.917475
null
72.7
54
0
0
4
0
13
200 °F (NTP, 1992)
null
1
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
0
1
1
1
DIMETHOATE
000060-51-5
3,082
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide
CNC(=O)CSP(=S)(OC)OC
InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)
MCWXGJITAZMZEV-UHFFFAOYSA-N
C5H12NO3PS2
229.3
228.999623
0.8
105
191
0
1
5
5
12
124 °F (EPA, 1998)
243 °F at 0.1 mmHg (NTP, 1992)
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
(S)-(-)-2-CHLOROPROPIONIC ACID
029617-66-1
107,915
(2S)-2-chloropropanoic acid
C[C@@H](C(=O)O)Cl
InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
GAWAYYRQGQZKCR-REOHCLBHSA-N
C3H5ClO2
108.52
107.997807
0.8
37.3
61
0
1
2
1
6
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
8-OXA-3,5-DITHIA-4-STANNATETRADECANOIC ACID, 10-ETHYL-4,4-DIMETHYL-7-OXO-, 2-E
057583-35-4
9,576,130
2-ethylhexyl 2-[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl-dimethylstannyl]sulfanylacetate
CCCCC(CC)COC(=O)CS[Sn](C)(C)SCC(=O)OCC(CC)CCCC
InChI=1S/2C10H20O2S.2CH3.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;;;/h2*9,13H,3-8H2,1-2H3;2*1H3;/q;;;;+2/p-2
YAHBZWSDRFSFOO-UHFFFAOYSA-L
C22H44O4S2Sn
555.4
556.170305
null
103
409
0
0
6
20
29
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
1
1
0
ETHANAMINIUM, N-ETHYL-N,N-DIMETHYL-, HYDROXIDE
095500-19-9
12,025,426
diethyl(dimethyl)azanium hydroxide
CC[N+](C)(C)CC.[OH-]
InChI=1S/C6H16N.H2O/c1-5-7(3,4)6-2;/h5-6H2,1-4H3;1H2/q+1;/p-1
JQDCIBMGKCMHQV-UHFFFAOYSA-M
C6H17NO
119.21
119.131014
null
1
42
0
1
1
2
8
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CARTAP
015263-52-2
30,913
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate;hydrochloride
CN(C)C(CSC(=O)N)CSC(=O)N.Cl
InChI=1S/C7H15N3O2S2.ClH/c1-10(2)5(3-13-6(8)11)4-14-7(9)12;/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12);1H
MSHXTAQSSIEBQS-UHFFFAOYSA-N
C7H16ClN3O2S2
273.8
273.037247
null
140
193
0
3
5
7
15
null
null
1
1
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
TETRAETHYLENEPENTAMINE
000112-57-2
8,197
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
C(CNCCNCCNCCN)N
InChI=1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2
FAGUFWYHJQFNRV-UHFFFAOYSA-N
C8H23N5
189.3
189.195346
-2.9
88.1
78
0
5
5
10
13
325 °F (NTP, 1992)
644 °F at 760 mmHg (NTP, 1992)
0
1
0
1
0
0
1
0
0
0
0
0
0
0
0
0
1
1
0
0
BARIUM MESOSILICATE
012650-28-1
166,725
barium(2+);dioxido(oxo)silane
[O-][Si](=O)[O-].[Ba+2]
InChI=1S/Ba.O3Si/c;1-4(2)3/q+2;-2
HMOQPOVBDRFNIU-UHFFFAOYSA-N
BaO3Si
213.41
213.866917
null
63.2
18
0
0
3
0
5
null
null
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TRIMETHYLAMINE N-OXIDE
001184-78-7
1,145
N,N-dimethylmethanamine oxide
C[N+](C)(C)[O-]
InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3
UYPYRKYUKCHHIB-UHFFFAOYSA-N
C3H9NO
75.11
75.068414
-0.3
18.1
28
0
0
1
0
5
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
METHANESULFONIC ACID, LEAD(2+) SALT
017570-76-2
16,213,053
lead(2+);methanesulfonate
CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Pb+2]
InChI=1S/2CH4O3S.Pb/c2*1-5(2,3)4;/h2*1H3,(H,2,3,4);/q;;+2/p-2
LLABTCPIBSAMGS-UHFFFAOYSA-L
C2H6O6PbS2
397
397.93723
null
131
79
0
0
6
0
11
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
1
0
0
1
0
1
0
BIS(DIMETHYLTHIOCARBAMOYL)SULFIDE
000097-74-5
7,347
dimethylcarbamothioyl N,N-dimethylcarbamodithioate
CN(C)C(=S)SC(=S)N(C)C
InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3
REQPQFUJGGOFQL-UHFFFAOYSA-N
C6H12N2S3
208.4
208.016262
1.7
96
147
0
0
3
2
11
null
null
0
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
COPPER HYDROXIDE SULFATE (CU4(OH)6(SO4))
001333-22-8
15,825,719
tetracopper;hexahydroxide;sulfate
[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[O-]S(=O)(=O)[O-].[Cu+2].[Cu+2].[Cu+2].[Cu+2]
InChI=1S/4Cu.H2O4S.6H2O/c;;;;1-5(2,3)4;;;;;;/h;;;;(H2,1,2,3,4);6*1H2/q4*+2;;;;;;;/p-8
LITQZINTSYBKIU-UHFFFAOYSA-F
Cu4H6O10S
452.29
451.68475
null
94.6
62
0
6
10
0
15
null
null
1
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
DISULFIRAM
000097-77-8
3,117
diethylcarbamothioylsulfanyl N,N-diethylcarbamodithioate
CCN(CC)C(=S)SSC(=S)N(CC)CC
InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
AUZONCFQVSMFAP-UHFFFAOYSA-N
C10H20N2S4
296.5
296.050933
3.9
121
201
0
0
4
7
16
null
243 °F at 17 mmHg (NTP, 1992)
1
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
1
1
0
NICKEL SULFAMATE
013770-89-3
83,720
nickel(2+) disulfamate
NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2]
InChI=1S/2H3NO3S.Ni/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);/q;;+2/p-2
KERTUBUCQCSNJU-UHFFFAOYSA-L
H4N2NiO6S2
250.87
249.88642
null
183
79
0
2
8
0
11
null
null
1
0
0
1
0
1
1
0
0
0
1
0
0
1
1
0
0
1
1
0
HEPTADECAFLUOROOCTANE-1-SULPHONIC ACID
001763-23-1
74,483
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)
YFSUTJLHUFNCNZ-UHFFFAOYSA-N
C8HF17O3S
500.13
499.937494
5
62.8
727
0
1
20
7
29
11 °C - closed cup
249 °C
0
0
1
1
0
1
1
0
0
0
0
0
0
1
0
0
0
0
1
0
MANGANESE DIOXIDE
001313-13-9
14,801
dioxomanganese
O=[Mn]=O
InChI=1S/Mn.2O
NUJOXMJBOLGQSY-UHFFFAOYSA-N
MnO2
86.937
86.927872
null
34.1
18
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
THIRAM
000137-26-8
5,455
dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate
CN(C)C(=S)SSC(=S)N(C)C
InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3
KUAZQDVKQLNFPE-UHFFFAOYSA-N
C6H12N2S4
240.4
239.988333
1.7
121
158
0
0
4
3
12
280 °F (NTP, 1992)
264 °F at 20 mmHg (NTP, 1992)
1
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
1
0
INDIUM METAL (SOLID)
007440-74-6
5,359,967
indium
[In]
InChI=1S/In
APFVFJFRJDLVQX-UHFFFAOYSA-N
In
114.818
114.903879
null
0
0
0
0
0
0
1
null
3767 °F at 760 mmHg (NIOSH, 2024)
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
1
1
TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)YTTRIUM
015632-39-0
5,829,704
tris((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);yttrium
CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.CC(/C(=C/C(=O)C(C)(C)C)/O)(C)C.[Y]
InChI=1S/3C11H20O2.Y/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/b3*8-7-;
IAYLRLKRHZVTOP-LWTKGLMZSA-N
C33H60O6Y
641.7
641.344828
null
112
801
0
3
6
9
40
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SODIUM PROPIONATE
000137-40-6
2,723,816
sodium propanoate
CCC(=O)[O-].[Na+]
InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
JXKPEJDQGNYQSM-UHFFFAOYSA-M
C3H5NaO2
96.06
96.018724
null
40.1
44
0
0
2
1
6
>250 °C o.c.
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
3-CHLOROPROPIONIC ACID
000107-94-8
7,899
3-chloropropanoic acid
C(CCl)C(=O)O
InChI=1S/C3H5ClO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
QEYMMOKECZBKAC-UHFFFAOYSA-N
C3H5ClO2
108.52
107.997807
0.4
37.3
52
0
1
2
2
6
greater than 230 °F (USCG, 1999)
392 °F at 760 mmHg (USCG, 1999)
0
0
0
1
0
0
0
0
0
0
1
0
0
0
0
0
1
0
0
0
DIBUTYLTIN MALEATE
000078-04-6
9,906,251
(Z)-but-2-enedioate;dibutyltin(2+)
CCCC[Sn+2]CCCC.C(=C\C(=O)[O-])\C(=O)[O-]
InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2/b2-1-;;;
ZBBLRPRYYSJUCZ-GRHBHMESSA-L
C12H20O4Sn
346.99
348.038362
null
80.3
146
0
0
4
4
17
null
null
0
0
1
1
0
0
0
1
0
0
1
0
0
1
0
0
1
0
1
0
DODECANETHIOL
000112-55-0
8,195
dodecane-1-thiol
CCCCCCCCCCCCS
InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
WNAHIZMDSQCWRP-UHFFFAOYSA-N
C12H26S
202.4
202.175522
6.1
1
81
0
1
1
10
13
190 °F (NTP, 1992)
511 to 541 °F at 760 mmHg (NTP, 1992)
1
1
1
1
0
0
1
1
0
0
0
0
0
0
1
0
1
1
0
1
PYROPHOSPHORIC ACID
002466-09-3
1,023
phosphono dihydrogen phosphate
OP(=O)(O)OP(=O)(O)O
InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
XPPKVPWEQAFLFU-UHFFFAOYSA-N
H4O7P2
177.98
177.943227
-3.2
124
147
0
4
7
2
9
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
4,4-DIBUTYL-10-ETHYL-7-OXO-8-OXA-3,5-DITHIA-4-STANNATETRADECANOIC ACID, 2-ETHYLHEXYL ESTER
010584-98-2
9,571,022
2-ethylhexyl 2-[dibutyl-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylstannyl]sulfanylacetate
CCCCC(CC)COC(=O)CS[Sn](CCCC)(CCCC)SCC(=O)OCC(CC)CCCC
InChI=1S/2C10H20O2S.2C4H9.Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;2*1-3-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2
PRIUALOJYOZZOJ-UHFFFAOYSA-L
C28H56O4S2Sn
639.6
640.264205
null
103
487
0
0
6
26
35
null
null
1
1
1
1
0
0
1
1
0
0
1
0
0
1
0
0
1
1
1
1
LAURYL DIMETHYLAMINE OXIDE
001643-20-5
15,433
N,N-dimethyldodecan-1-amine oxide
CCCCCCCCCCCC[N+](C)(C)[O-]
InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
SYELZBGXAIXKHU-UHFFFAOYSA-N
C14H31NO
229.4
229.240565
5.3
18.1
146
0
0
1
11
16
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-SULFO-.OMEGA.-(DODECYLOXY)-, SODIUM SALT
009004-82-4
23,665,884
sodium 2-dodecoxyethyl sulfate
CCCCCCCCCCCCOCCOS(=O)(=O)[O-].[Na+]
InChI=1S/C14H30O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1
ASEFUFIKYOCPIJ-UHFFFAOYSA-M
C14H29NaO5S
332.43
332.16334
null
84
290
0
0
5
15
21
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ETHANAMINE, N,N-DIETHYL-, PHOSPHATE
010138-93-9
61,946
N,N-diethylethanamine;phosphoric acid
CCN(CC)CC.OP(=O)(O)O
InChI=1S/C6H15N.H3O4P/c1-4-7(5-2)6-3;1-5(2,3)4/h4-6H2,1-3H3;(H3,1,2,3,4)
UNXNGGMLCSMSLH-UHFFFAOYSA-N
C6H18NO4P
199.19
199.097345
null
81
75
0
3
5
3
12
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
9-OCTADECEN-1-AMINE, N-9-OCTADECENYL-, (Z,Z)-
040165-68-2
11,214,516
(Z)-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine
CCCCCCCC/C=C\CCCCCCCCNCCCCCCCC/C=C\CCCCCCCC
InChI=1S/C36H71N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17-,20-18-
JTQQDDNCCLCMER-CLFAGFIQSA-N
C36H71N
518
517.558651
15.6
12
398
0
1
1
32
37
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
1
0
POLY(OXY-1,2-ETHANEDIYL), .ALPHA.-SULFO-.OMEGA.-(DODECYLOXY)-, POTASSIUM SALT
050602-06-7
24,761
2-dodecoxyethyl hydrogen sulfate
CCCCCCCCCCCCOCCOS(=O)(=O)O
InChI=1S/C14H30O5S/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19-20(15,16)17/h2-14H2,1H3,(H,15,16,17)
QTDIEDOANJISNP-UHFFFAOYSA-N
C14H30O5S
310.45
310.181395
4.6
81.2
284
0
1
5
15
20
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
GLYCINE, N-(HYDROXYMETHYL)-, MONOSODIUM SALT
070161-44-3
23,664,641
sodium 2-(hydroxymethylamino)acetate
C(C(=O)[O-])NCO.[Na+]
InChI=1S/C3H7NO3.Na/c5-2-4-1-3(6)7;/h4-5H,1-2H2,(H,6,7);/q;+1/p-1
CITBNDNUEPMTFC-UHFFFAOYSA-M
C3H6NNaO3
127.07
127.024537
null
72.4
67
0
2
4
3
8
null
null
0
0
1
1
0
1
0
1
0
0
1
0
0
0
0
0
1
1
0
1
FUMARIC ACID DISODIUM
017013-01-3
6,364,607
disodium;(E)-but-2-enedioate
C(=C/C(=O)[O-])\C(=O)[O-].[Na+].[Na+]
InChI=1S/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1+;;
MSJMDZAOKORVFC-SEPHDYHBSA-L
C4H2Na2O4
160.04
159.974847
null
80.3
108
0
0
4
0
10
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
COPPER OLEATE
001120-44-1
6,436,661
copper bis((Z)-octadec-9-enoate)
CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[Cu+2]
InChI=1S/2C18H34O2.Cu/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*10-9-;
SVOAENZIOKPANY-CVBJKYQLSA-L
C36H66CuO4
626.5
625.425708
null
80.3
228
0
0
4
28
41
null
null
1
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
FORMIC ACID, COPPER(2+) SALT
000544-19-4
10,999
copper diformate
C(=O)[O-].C(=O)[O-].[Cu+2]
InChI=1S/2CH2O2.Cu/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2
HFDWIMBEIXDNQS-UHFFFAOYSA-L
C2H2CuO4
153.58
152.924906
null
80.3
7
0
0
4
0
7
null
null
1
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
CALCIUM OXIDE
001305-78-8
14,778
oxocalcium
O=[Ca]
InChI=1S/Ca.O
ODINCKMPIJJUCX-UHFFFAOYSA-N
CaO
56.08
55.957506
null
17.1
2
0
0
1
0
2
Not flammable
5162 °F at 760 mmHg (NIOSH, 2024)
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ETHYLENE GLYCOL
000107-21-1
174
ethane-1,2-diol
C(CO)O
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
LYCAIKOWRPUZTN-UHFFFAOYSA-N
C2H6O2
62.07
62.036779
-1.4
40.5
6
0
2
2
1
4
232 °F (NTP, 1992)
387.7 °F at 760 mmHg (NTP, 1992)
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
ANTIMONY PENTAFLUORIDE
007783-70-2
24,557
pentafluoro-lambda5-stibane
F[Sb](F)(F)(F)F
InChI=1S/5FH.Sb/h5*1H;/q;;;;;+5/p-5
VBVBHWZYQGJZLR-UHFFFAOYSA-I
F5Sb
216.752
215.89583
null
0
37
0
0
5
0
6
null
286 °F at 760 mmHg (EPA, 1998)
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
MALEIC ACID
000110-16-7
444,266
(Z)-but-2-enedioic acid
C(=C\C(=O)O)\C(=O)O
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-
VZCYOOQTPOCHFL-UPHRSURJSA-N
C4H4O4
116.07
116.010959
-0.3
74.6
119
0
2
4
2
8
127 °C
275 °F at 760 mmHg (decomposes) (NTP, 1992)
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
SODIUM METABISULFITE, ANHYDROUS
007681-57-4
656,671
null
[O-]S(=O)S(=O)(=O)[O-].[Na+].[Na+]
InChI=1S/2Na.H2O5S2/c;;1-6(2)7(3,4)5/h;;(H,1,2)(H,3,4,5)/q2*+1;/p-2
HRZFUMHJMZEROT-UHFFFAOYSA-L
Na2O5S2
190.11
189.898254
null
125
136
0
0
6
0
9
null
Decomposes (NIOSH, 2024)
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
ZINC CHROMATE
013530-65-9
26,089
zinc dioxido(dioxo)chromium
[O-][Cr](=O)(=O)[O-].[Zn+2]
InChI=1S/Cr.4O.Zn/q;;;2*-1;+2
NDKWCCLKSWNDBG-UHFFFAOYSA-N
CrO4Zn
181.4
179.849305
null
80.3
62
0
0
4
0
6
null
null
1
0
0
1
0
1
1
0
0
0
0
0
0
0
0
0
0
1
0
0
CHROMIUM(III) OXIDE
001308-38-9
517,277
oxo(oxochromiooxy)chromium
O=[Cr]O[Cr]=O
InChI=1S/2Cr.3O
QDOXWKRWXJOMAK-UHFFFAOYSA-N
Cr2O3
151.99
151.865753
null
43.4
34
0
0
3
0
5
null
4000 °C
0
0
0
1
0
0
0
1
0
0
0
0
0
1
0
0
0
1
0
0
INDIUM (I) IODIDE
013966-94-4
83,539
triiodoindigane
[In](I)(I)I
InChI=1S/3HI.In/h3*1H;/q;;;+3/p-3
RMUKCGUDVKEQPL-UHFFFAOYSA-K
I3In
495.531
495.6173
null
0
8
0
0
0
0
4
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
1
0
1
0
0
1
(Z)-2-BUTENEDIOIC ACID, DIMETHYL ESTER
000624-48-6
5,271,565
dimethyl (Z)-but-2-enedioate
COC(=O)/C=C\C(=O)OC
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-
LDCRTTXIJACKKU-ARJAWSKDSA-N
C6H8O4
144.12
144.042259
0.7
52.6
141
0
0
4
4
10
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
1-DODECANAMINIUM, N-(CARBOXYMETHYL)-N,N-DIMETHYL-, INNER SALT
000683-10-3
4,292,413
2-[dodecyl(dimethyl)azaniumyl]acetate
CCCCCCCCCCCC[N+](C)(C)CC(=O)[O-]
InChI=1S/C16H33NO2/c1-4-5-6-7-8-9-10-11-12-13-14-17(2,3)15-16(18)19/h4-15H2,1-3H3
DVEKCXOJTLDBFE-UHFFFAOYSA-N
C16H33NO2
271.44
271.251129
6.1
40.1
221
0
0
2
12
19
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
CHROMIUM LEAD SILICATE (CRVI)
011113-70-5
22,833,311
null
[O-][Si](=O)[O-].[O-][Cr](=O)(=O)[O-].[Pb]
InChI=1S/Cr.O3Si.4O.Pb/c;1-4(2)3;;;;;/q;-2;;;2*-1;
WTSIMEJHDNSMGE-UHFFFAOYSA-N
CrO7PbSi-4
399
399.85849
null
143
81
-4
0
7
0
10
null
null
1
0
1
1
0
1
1
0
0
0
0
0
0
1
0
0
0
1
1
0
2-ETHYLHEXANOIC ACID, COBALT SALT
013586-82-8
61,648
cobalt(2+);2-ethylhexanoate
CCCCC(CC)C(=O)[O-].[Co+2]
InChI=1S/C8H16O2.Co/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+2/p-1
RLGHSHOBCCXNGA-UHFFFAOYSA-M
C8H15CoO2+
202.14
202.040398
null
40.1
93
1
0
2
4
11
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
1
0
0
1
1
0
0
Stannane, bis(isooctyloxycarbonylmethylthio)dioctyl-
026401-97-8
14,029,260
6-methylheptyl 2-[[2-(6-methylheptoxy)-2-oxoethyl]sulfanyl-dioctylstannyl]sulfanylacetate
CCCCCCCC[Sn](CCCCCCCC)(SCC(=O)OCCCCCC(C)C)SCC(=O)OCCCCCC(C)C
InChI=1S/2C10H20O2S.2C8H17.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;2*1-3-5-7-8-6-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
HLRRSFOQAFMOTJ-UHFFFAOYSA-L
C36H72O4S2Sn
751.8
752.389406
null
103
591
0
0
6
34
43
greater than 200 °F (NTP, 1992)
null
0
0
0
1
0
0
1
1
0
0
0
0
0
1
0
0
0
1
1
0
VANADIUM HYDROXIDE OXIDE PHOSPHATE
065232-89-5
6,455,080
pentakis(oxygen(2-));hexakis(vanadium);pentahydroxide;pentaphosphate
[OH-].[OH-].[OH-].[OH-].[OH-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[V].[V].[V].[V].[V].[V]
InChI=1S/5H3O4P.5H2O.5O.6V/c5*1-5(2,3)4;;;;;;;;;;;;;;;;/h5*(H3,1,2,3,4);5*1H2;;;;;;;;;;;/q;;;;;;;;;;5*-2;;;;;;/p-20
DZHUTCDIQDURCC-UHFFFAOYSA-A
H5O30P5V6-30
945.54
945.41912
null
441
36
-30
5
30
0
41
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
(CARBONATO(2-))TETRAHYDROXYTRINICKEL TETRAHYDRATE
039430-27-8
76,955,832
tris(nickel(2+));carbonate;tetrahydroxide;tetrahydrate
C(=O)([O-])[O-].O.O.O.O.[OH-].[OH-].[OH-].[OH-].[Ni+2].[Ni+2].[Ni+2]
InChI=1S/CH2O3.3Ni.8H2O/c2-1(3)4;;;;;;;;;;;/h(H2,2,3,4);;;;8*1H2/q;3*+2;;;;;;;;/p-6
JWFGIQXZIKKLFA-UHFFFAOYSA-H
CH12Ni3O11
376.18
375.83943
null
71.2
18
0
8
11
0
15
null
null
1
0
1
1
0
1
1
0
0
0
1
0
0
1
1
0
1
1
1
0
LITHIUM BROMIDE
007550-35-8
82,050
lithium bromide
[Li+].[Br-]
InChI=1S/BrH.Li/h1H;/q;+1/p-1
AMXOYNBUYSYVKV-UHFFFAOYSA-M
BrLi
86.9
85.93434
null
0
2
0
0
1
0
2
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
2-MERCAPTOETHYLAMINE
000060-23-1
6,058
2-aminoethanethiol
C(CS)N
InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
UFULAYFCSOUIOV-UHFFFAOYSA-N
C2H7NS
77.15
77.02992
-0.4
27
10
0
2
2
1
4
null
133.6±23.0
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ZINC DIETHYLDITHIOCARBAMATE
014324-55-1
26,633
zinc bis(N,N-diethylcarbamodithioate)
CCN(CC)C(=S)[S-].CCN(CC)C(=S)[S-].[Zn+2]
InChI=1S/2C5H11NS2.Zn/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2
RKQOSDAEEGPRER-UHFFFAOYSA-L
C10H20N2S4Zn
361.9
359.980075
null
72.7
73
0
0
4
4
17
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
1
2-OCTYNOIC ACID, METHYL ESTER
000111-12-6
8,092
methyl oct-2-ynoate
CCCCCC#CC(=O)OC
InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3
FRLZQXRXIKQFNS-UHFFFAOYSA-N
C9H14O2
154.21
154.09938
3.2
26.3
170
0
0
2
4
11
null
217.00 to 220.00 °C. @ 760.00 mm Hg
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
2-NONYNOIC ACID, METHYL ESTER
000111-80-8
8,137
methyl non-2-ynoate
CCCCCCC#CC(=O)OC
InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3
NTLJTUMJJWVCTL-UHFFFAOYSA-N
C10H16O2
168.23
168.11503
3.7
26.3
183
0
0
2
5
12
null
121.00 to 122.00 °C. @ 20.00 mm Hg
1
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
1
1
0
0
1-OCTEN-3-OL
003391-86-4
18,827
oct-1-en-3-ol
CCCCCC(C=C)O
InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h4,8-9H,2-3,5-7H2,1H3
VSMOENVRRABVKN-UHFFFAOYSA-N
C8H16O
128.21
128.120115
2.6
20.2
69
0
1
1
5
9
null
84.00 to 85.00 °C. @ 25.00 mm Hg
1
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
COPPER CHLORIDE
007758-89-6
62,652
chlorocopper
Cl[Cu]
InChI=1S/ClH.Cu/h1H;/q;+1/p-1
OXBLHERUFWYNTN-UHFFFAOYSA-M
ClCu
99
97.89845
null
0
2
0
0
0
0
2
null
null
1
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
2-(DIMETHYLAMINO)ETHYL METHACRYLATE
002867-47-2
17,869
2-(dimethylamino)ethyl 2-methylprop-2-enoate
CC(=C)C(=O)OCCN(C)C
InChI=1S/C8H15NO2/c1-7(2)8(10)11-6-5-9(3)4/h1,5-6H2,2-4H3
JKNCOURZONDCGV-UHFFFAOYSA-N
C8H15NO2
157.21
157.110279
1.2
29.5
152
0
0
3
5
11
165 °F (NFPA, 2010)
186 °C
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
DIETHANOLAMINE
000111-42-2
8,113
2-(2-hydroxyethylamino)ethanol
C(CO)NCCO
InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2
ZBCBWPMODOFKDW-UHFFFAOYSA-N
C4H11NO2
105.14
105.078979
-1.4
52.5
28
0
3
3
4
7
279 °F (NTP, 1992)
516.4 °F at 760 mmHg (Decomposes) (NTP, 1992)
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
1
0
TETRABUTYLPHOSPHONIUM BROMIDE
003115-68-2
76,564
tetrabutylphosphanium bromide
CCCC[P+](CCCC)(CCCC)CCCC.[Br-]
InChI=1S/C16H36P.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
RKHXQBLJXBGEKF-UHFFFAOYSA-M
C16H36BrP
339.33
338.1738
null
0
116
0
0
1
12
18
null
null
0
1
0
1
0
0
1
1
0
0
0
0
0
1
0
0
1
1
0
1
COPPER(I) OXIDE
001317-39-1
18,346,908
copper;oxocopper
O=[Cu].[Cu]
InChI=1S/2Cu.O
BERDEBHAJNAUOM-UHFFFAOYSA-N
Cu2O
143.09
141.854109
null
17.1
2
0
0
1
0
3
null
Decomp at 1800 °C
1
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
POTASSIUM CARBONATE
000584-08-7
11,430
dipotassium;carbonate
C(=O)([O-])[O-].[K+].[K+]
InChI=1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
BWHMMNNQKKPAPP-UHFFFAOYSA-L
CK2O3
138.205
137.912157
null
63.2
18
0
0
3
0
6
null
Decomposes
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
MALONIC ACID
000141-82-2
867
propanedioic acid
C(C(=O)O)C(=O)O
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
OFOBLEOULBTSOW-UHFFFAOYSA-N
C3H4O4
104.06
104.010959
-0.8
74.6
83
0
2
4
2
7
null
284 °F at 760 mmHg (decomposes) (NTP, 1992)
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ETHYLENEDIAMINETETRAACETIC ACID, TETRASODIUM SALT
000064-02-8
6,144
tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI=1S/C10H16N2O8.4Na/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;4*+1/p-4
UEUXEKPTXMALOB-UHFFFAOYSA-J
C10H12N2Na4O8
380.17
380.018443
null
167
293
0
0
10
7
24
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
LITHIUM TETRAFLUOROBORATE
014283-07-9
4,298,216
lithium tetrafluoroborate
[Li+].[B-](F)(F)(F)F
InChI=1S/BF4.Li/c2-1(3,4)5;/q-1;+1
UFXJWFBILHTTET-UHFFFAOYSA-N
BF4Li
93.8
94.018921
null
0
23
0
0
5
0
6
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
HEXAFLUOROSILICATE(2-), LEAD(2+) (1:1)
025808-74-6
11,966,241
hexafluorosilicon(2-);lead(2+)
F[Si-2](F)(F)(F)(F)F.[Pb+2]
InChI=1S/F6Si.Pb/c1-7(2,3,4,5)6;/q-2;+2
AIEQFQFGMBAKSG-UHFFFAOYSA-N
F6PbSi
349
349.944
null
0
62
0
0
7
0
8
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
1-BUTANAMINIUM, N,N-DIBUTYL-N-ETHYL-, ETHYL SULFATE
068052-51-7
106,489
ethyl sulfate;tributyl(ethyl)azanium
CCCC[N+](CC)(CCCC)CCCC.CCOS(=O)(=O)[O-]
InChI=1S/C14H32N.C2H6O4S/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-2-6-7(3,4)5/h5-14H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1
GELDODMEEMXBIV-UHFFFAOYSA-M
C16H37NO4S
339.5
339.24433
null
74.8
213
0
0
4
11
22
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM OXALATE
000062-76-0
6,125
disodium;oxalate
C(=O)(C(=O)[O-])[O-].[Na+].[Na+]
InChI=1S/C2H2O4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2
ZNCPFRVNHGOPAG-UHFFFAOYSA-L
C2Na2O4
134
133.959197
null
80.3
60
0
0
4
0
8
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
TETRAETHYLAMMONIUM TETRAFLUOROBORATE
000429-06-1
2,724,277
tetraethylazanium tetrafluoroborate
[B-](F)(F)(F)F.CC[N+](CC)(CC)CC
InChI=1S/C8H20N.BF4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1
XJRAKUDXACGCHA-UHFFFAOYSA-N
C8H20BF4N
217.06
217.162493
null
0
66
0
0
5
4
14
null
null
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
OCTANOIC ACID, ZINC SALT
000557-09-5
11,180
zinc bis(octanoate)
CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Zn+2]
InChI=1S/2C8H16O2.Zn/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
CHJMFFKHPHCQIJ-UHFFFAOYSA-L
C16H30O4Zn
351.8
350.143551
null
80.3
83
0
0
4
10
21
null
null
1
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
POLYETHYLENE GLYCOL (5) UNDECYL ETHER
034398-01-1
61,930
2-undecoxyethanol
CCCCCCCCCCCOCCO
InChI=1S/C13H28O2/c1-2-3-4-5-6-7-8-9-10-12-15-13-11-14/h14H,2-13H2,1H3
KLMGMPDXSPSCOC-UHFFFAOYSA-N
C13H28O2
216.36
216.20893
4.6
29.5
105
0
1
2
12
15
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
POTASSIUM IODIDE
007681-11-0
4,875
potassium iodide
[K+].[I-]
InChI=1S/HI.K/h1H;/q;+1/p-1
NLKNQRATVPKPDG-UHFFFAOYSA-M
IK
166.0028
165.86818
null
0
2
0
0
1
0
2
null
Very high (USCG, 1999)
0
0
0
1
0
0
1
1
0
0
0
0
0
0
1
0
1
1
1
0
SODIUM BISULFITE
007631-90-5
23,665,763
sodium hydrogen sulfite
OS(=O)[O-].[Na+]
InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
DWAQJAXMDSEUJJ-UHFFFAOYSA-M
HNaO3S
104.06
103.954409
null
79.6
33
0
1
4
0
5
null
Decomposes (NIOSH, 2024)
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
TETRAETHYLAMMONIUM BROMIDE
000071-91-0
6,285
tetraethylazanium bromide
CC[N+](CC)(CC)CC.[Br-]
InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
HWCKGOZZJDHMNC-UHFFFAOYSA-M
C8H20BrN
210.16
209.07791
null
0
47
0
0
1
4
10
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
SODIUM HEXAFLUOROANTIMONATE
016925-25-0
16,689,647
sodium hexafluoroantimony(1-)
F[Sb-](F)(F)(F)(F)F.[Na+]
InChI=1S/6FH.Na.Sb/h6*1H;;/q;;;;;;+1;+5/p-6
HKLMYZVMEYYVBS-UHFFFAOYSA-H
F6NaSb
258.74
257.884
null
0
62
0
0
7
0
8
null
null
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
PHOSPHORIC ACID, COBALT(2+) SALT (2:3)
013455-36-2
61,615
tris(cobalt(2+)) diphosphate
[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[Co+2].[Co+2].[Co+2]
InChI=1S/3Co.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6
ZBDSFTZNNQNSQM-UHFFFAOYSA-H
Co3O8P2
366.74
366.70642
null
173
36
0
0
8
0
13
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
PHOSPHORIC ACID, AMMONIUM COBALT(2+) SALT (1:1:1)
014590-13-7
167,120
azanium;cobalt(2+);phosphate
[NH4+].[O-]P(=O)([O-])[O-].[Co+2]
InChI=1S/Co.H3N.H3O4P/c;;1-5(2,3)4/h;1H3;(H3,1,2,3,4)/q+2;;/p-2
FCXHHGTWMFGYPP-UHFFFAOYSA-L
CoH4NO4P
171.943
171.920988
null
87.3
36
0
1
4
0
7
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
LEAD TIN OXIDE (PBSNO3)
012036-31-6
166,014
lead(2+);tris(oxygen(2-));tin(4+)
[O-2].[O-2].[O-2].[Sn+4].[Pb+2]
InChI=1S/3O.Pb.Sn/q3*-2;+2;+4
MLOKPANHZRKTMG-UHFFFAOYSA-N
O3PbSn
374
375.8636
null
3
0
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
1,1,2,2-TETRACHLORO-1,2-DIFLUOROETHANE
000076-12-0
6,427
1,1,2,2-tetrachloro-1,2-difluoroethane
C(C(F)(Cl)Cl)(F)(Cl)Cl
InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8
UGCSPKPEHQEOSR-UHFFFAOYSA-N
C2Cl4F2
203.8
203.869267
3.4
0
78
0
0
2
1
8
null
199 °F at 760 mmHg (NIOSH, 2024)
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
CADMIUM HYDROXIDE
021041-95-2
10,313,210
cadmium(2+) dihydroxide
[OH-].[OH-].[Cd+2]
InChI=1S/Cd.2H2O/h;2*1H2/q+2;;/p-2
PLLZRTNVEXYBNA-UHFFFAOYSA-L
CdH2O2
146.43
147.908844
null
2
0
0
2
2
0
3
null
null
1
1
1
1
0
1
1
0
0
0
1
0
0
0
0
0
0
0
1
0
INDIUM(III) CHLORIDE
010025-82-8
24,812
trichloroindigane
Cl[In](Cl)Cl
InChI=1S/3ClH.In/h3*1H;/q;;;+3/p-3
PSCMQHVBLHHWTO-UHFFFAOYSA-K
Cl3In
221.17
219.810437
null
0
8
0
0
0
0
4
null
Sublimes at 5 °C
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
0
5,7,12-TRIOXA-6-STANNAHEXADECA-2,9-DIENOIC ACID, 6,6-DIBUTYL-4,8,11-TRIOXO-, B
015546-16-4
16,683,075
4-O-[[(Z)-4-butoxy-4-oxobut-2-enoyl]oxy-dibutylstannyl] 1-O-butyl (Z)-but-2-enedioate
CCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCC)(CCCC)CCCC
InChI=1S/2C8H12O4.2C4H9.Sn/c2*1-2-3-6-12-8(11)5-4-7(9)10;2*1-3-4-2;/h2*4-5H,2-3,6H2,1H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*5-4-;;;
OZDOQMMXEACZAA-NRFIWDAESA-L
C24H40O8Sn
575.3
576.174521
null
105
601
0
0
8
22
33
null
null
1
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
1
0
1
0
5,7,12-TRIOXA-6-STANNAOCTADECA-2,9-DIENOIC ACID, 6,6-DIBUTYL-14-ETHYL-4,8,11-T
015546-12-0
16,683,074
4-O-[dibutyl-[(Z)-4-(2-ethylhexoxy)-4-oxobut-2-enoyl]oxystannyl] 1-O-(2-ethylhexyl) (Z)-but-2-enedioate
CCCCC(COC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCC(CCCC)CC)(CCCC)CCCC)CC
InChI=1S/2C12H20O4.2C4H9.Sn/c2*1-3-5-6-10(4-2)9-16-12(15)8-7-11(13)14;2*1-3-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*8-7-;;;
NBZNVCBJBGDRJI-KKUWAICFSA-L
C32H56O8Sn
687.5
688.299721
null
105
742
0
0
8
28
41
null
null
0
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
0
N-NITROSODI-N-PROPYLAMINE
000621-64-7
12,130
N,N-dipropylnitrous amide
CCCN(CCC)N=O
InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3
YLKFDHTUAUWZPQ-UHFFFAOYSA-N
C6H14N2O
130.19
130.110613
1.4
32.7
69
0
0
3
4
9
null
403 °F at 760 mmHg (NTP, 1992)
0
0
0
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
DIETHYL-CARBAMODITHIOIC ACID, 2-CHLORO-2-PROPENYL ESTER
000095-06-7
7,216
2-chloroprop-2-enyl N,N-diethylcarbamodithioate
CCN(CC)C(=S)SCC(=C)Cl
InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3
XJCLWVXTCRQIDI-UHFFFAOYSA-N
C8H14ClNS2
223.8
223.02562
3.1
60.6
166
0
0
2
5
12
greater than 200 °F (NTP, 1992)
262 to 266 °F at 1 mmHg (NTP, 1992)
1
0
0
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
LEAD STEARATE
001072-35-1
61,258
lead(2+);bis(octadecanoate)
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Pb+2]
InChI=1S/2C18H36O2.Pb/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
UQLDLKMNUJERMK-UHFFFAOYSA-L
C36H70O4Pb
774
774.50406
null
80.3
196
0
0
4
30
41
greater than 450 °F (USCG, 1999)
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0