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
CARBONOCHLORIDIC ACID, HEPTYL ESTER
033758-34-8
118,547
heptyl carbonochloridate
CCCCCCCOC(=O)Cl
InChI=1S/C8H15ClO2/c1-2-3-4-5-6-7-11-8(9)10/h2-7H2,1H3
SATRZZYUXUGZIE-UHFFFAOYSA-N
C8H15ClO2
178.65
178.076057
4
26.3
104
0
0
2
7
11
null
null
0
0
0
1
0
0
0
1
0
0
0
1
0
0
0
0
0
1
0
0
POTASSIUM HEXACHLOROIRIDATE(IV)
016920-56-2
11,049,163
dipotassium;hexachloroiridium(2-)
Cl[Ir-2](Cl)(Cl)(Cl)(Cl)Cl.[K+].[K+]
InChI=1S/6ClH.Ir.2K/h6*1H;;;/q;;;;;;+4;2*+1/p-6
WEKZJZDULNNSCD-UHFFFAOYSA-H
Cl6IrK2
483.1
482.7005
null
0
62
0
0
1
0
9
null
null
0
1
1
1
0
0
0
1
0
0
0
1
0
0
0
0
1
0
0
1
ACETIC ACID, CYANO-, 2-ETHYLHEXYL ESTER
013361-34-7
96,359
2-ethylhexyl 2-cyanoacetate
CCCCC(CC)COC(=O)CC#N
InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3
ZNYBQVBNSXLZNI-UHFFFAOYSA-N
C11H19NO2
197.27
197.141579
3.1
50.1
205
0
0
3
8
14
null
null
0
0
0
0
0
0
0
1
0
0
0
1
0
0
0
0
1
0
0
1
PHOSPHONIC ACID, [1,2-ETHANEDIYLBIS[[3-[BIS(PHOSPHONOMETHYL)AMINO]PROPYL]IMINO
075125-54-1
173,334
[3-[bis(phosphonomethyl)amino]propyl-[2-[3-[bis(phosphonomethyl)amino]propyl-(phosphonomethyl)amino]ethyl]amino]methylphosphonic acid
C(CN(CCN(CCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CN(CP(=O)(O)O)CP(=O)(O)O
InChI=1S/C14H40N4O18P6/c19-37(20,21)9-15(3-1-5-17(11-39(25,26)27)12-40(28,29)30)7-8-16(10-38(22,23)24)4-2-6-18(13-41(31,32)33)14-42(34,35)36/h1-14H2,(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)
JFRZETRSNDLRII-UHFFFAOYSA-N
C14H40N4O18P6
738.33
738.076332
-18.4
358
974
0
12
22
23
42
null
null
0
0
0
0
0
0
0
1
0
0
0
1
0
0
0
0
1
0
0
0
HYDROXYLAMINE-D3 DCL
015588-23-5
16,212,195
(2H)chlorane;[(2H)hydroxy](2H2)amine
[2H]N([2H])O[2H].[2H]Cl
InChI=1S/ClH.H3NO/c;1-2/h1H;2H,1H2/i;1D2,2D/hD
WTDHULULXKLSOZ-MUONFQNCSA-N
ClH4NO
73.51
73.023248
null
46.3
2
0
3
2
0
3
null
null
1
1
0
1
0
1
0
1
0
0
0
1
0
0
0
0
1
1
1
0
TETRAFLUOROETHYLENE-PERFLUORO(3-OXA-4-PENTENESULFONIC ACID) COPOLYMER
111173-25-2
44,153,897
1,1,2,2-tetrafluoroethene;1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethanesulfonic acid
C(=C(F)F)(OC(C(F)(F)S(=O)(=O)O)(F)F)F.C(=C(F)F)(F)F
InChI=1S/C4HF7O4S.C2F4/c5-1(6)2(7)15-3(8,9)4(10,11)16(12,13)14;3-1(4)2(5)6/h(H,12,13,14);
BKIWNMVJOHRIMW-UHFFFAOYSA-N
C6HF11O4S
378.12
377.94199
null
72
445
0
1
15
4
22
null
null
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
CUPRIC CHLORIDE
007447-39-4
24,014
dichlorocopper
Cl[Cu]Cl
InChI=1S/2ClH.Cu/h2*1H;/q;;+2/p-2
ORTQZVOHEJQUHG-UHFFFAOYSA-L
Cl2Cu
134.45
132.867303
null
0
2
0
0
0
0
3
null
993 °C DECOMP TO CUPROUS CHLORIDE
1
1
0
1
0
0
1
1
0
0
0
1
0
0
0
0
1
0
0
0
3-MERCAPTOPROPIONIC ACID
000107-96-0
6,514
3-sulfanylpropanoic acid
C(CS)C(=O)O
InChI=1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
DKIDEFUBRARXTE-UHFFFAOYSA-N
C3H6O2S
106.15
106.008851
0.4
38.3
52
0
2
3
2
6
93 °C
111 °C AT 15 MM HG
0
1
1
1
0
0
0
1
0
0
0
1
0
0
0
0
1
0
0
0
SODIUM THIOGLYCOLIC
000367-51-1
23,690,444
sodium 2-sulfanylacetate
C(C(=O)[O-])S.[Na+]
InChI=1S/C2H4O2S.Na/c3-2(4)1-5;/h5H,1H2,(H,3,4);/q;+1/p-1
GNBVPFITFYNRCN-UHFFFAOYSA-M
C2H3NaO2S
114.1
113.975145
null
41.1
46
0
1
3
1
6
null
null
0
1
0
1
0
0
1
1
0
0
0
1
0
1
0
0
1
1
1
0
ALUMINUM SULFATE
010043-01-3
24,850
dialuminum;trisulfate
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]
InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
DIZPMCHEQGEION-UHFFFAOYSA-H
Al2O12S3
342.2
341.818266
null
266
62
0
0
12
0
17
null
214 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
AMMONIUM FLUOBORATE
013826-83-0
9,964,072
azanium tetrafluoroborate
[B-](F)(F)(F)F.[NH4+]
InChI=1S/BF4.H3N/c2-1(3,4)5;/h;1H3/q-1;/p+1
PDTKOBRZPAIMRD-UHFFFAOYSA-O
BF4H4N
104.85
105.037292
null
1
19
0
1
5
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
1
0
0
0
0
1
0
0
1
METHYL DEMETON
008022-00-2
24,692
1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane;2-ethylsulfanylethoxy-dimethoxy-sulfanylidene-lambda5-phosphane
CCSCCOP(=S)(OC)OC.CCSCCSP(=O)(OC)OC
InChI=1S/2C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3;1-4-12-6-5-9-10(11,7-2)8-3/h2*4-6H2,1-3H3
KPNPDRFFWQBXGT-UHFFFAOYSA-N
C12H30O6P2S4
460.6
460.040047
null
171
291
0
0
10
14
24
null
Decomposes (NIOSH, 2024)
0
1
1
1
0
0
0
1
0
0
1
0
0
1
0
0
1
1
1
1
N-NITROSOMETHYLVINYLAMINE
004549-40-0
20,678
N-ethenyl-N-methylnitrous amide
CN(C=C)N=O
InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3
AWZVYNHQGTZJIH-UHFFFAOYSA-N
C3H6N2O
86.09
86.048013
0.7
32.7
61
0
0
3
1
6
null
117 to 118 °F at 30 mmHg (NTP, 1992)
0
0
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1-ACETYL-2-THIOUREA
000591-08-2
2,723,593
N-carbamothioylacetamide
CC(=O)NC(=S)N
InChI=1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)
IPCRBOOJBPETMF-UHFFFAOYSA-N
C3H6N2OS
118.16
118.020084
-0.1
87.2
101
0
2
2
0
7
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
MERCURY(II) FLUORIDE
007783-39-3
82,209
difluoromercury
F[Hg]F
InChI=1S/2FH.Hg/h2*1H;/q;;+2/p-2
FMSYTQMJOCCCQS-UHFFFAOYSA-L
F2Hg
238.59
239.96745
null
0
2
0
0
2
0
3
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
CHLOROMETHYLMERCURY
000115-09-3
409,301
chloro(methyl)mercury
C[Hg]Cl
InChI=1S/CH3.ClH.Hg/h1H3;1H;/q;;+1/p-1
BABMCXWQNSQAOC-UHFFFAOYSA-M
CH3ClHg
251.08
251.962971
null
0
4
0
0
0
0
3
null
null
1
1
1
1
0
1
1
0
0
0
0
0
0
1
0
0
0
0
1
0
TETRACYANOETHYLENE
000670-54-2
12,635
ethene-1,1,2,2-tetracarbonitrile
C(#N)C(=C(C#N)C#N)C#N
InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10
NLDYACGHTUPAQU-UHFFFAOYSA-N
C6N4
128.09
128.012296
-0.2
95.2
289
0
0
4
0
10
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
MERCUROUS NITRATE, DIHYDRATE
014836-60-3
11,318,980
bis(mercury(1+));dinitrate;dihydrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.[Hg+].[Hg+]
InChI=1S/2Hg.2NO3.2H2O/c;;2*2-1(3)4;;/h;;;;2*1H2/q2*+1;2*-1;;
LSABZDVKJBWCBE-UHFFFAOYSA-N
H4Hg2N2O8
561.22
561.935736
null
128
18
0
2
8
0
12
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
2,3-DIMETHYL-2,3-DINITROBUTANE
003964-18-9
77,577
2,3-dimethyl-2,3-dinitrobutane
CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-]
InChI=1S/C6H12N2O4/c1-5(2,7(9)10)6(3,4)8(11)12/h1-4H3
DWCLXOREGBLXTD-UHFFFAOYSA-N
C6H12N2O4
176.17
176.079707
1
91.6
187
0
0
4
1
12
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
POTASSIUM CYANIDE-13C
025909-68-6
11,789,121
potassium azanylidyne(113C)methane
[13C-]#N.[K+]
InChI=1S/CN.K/c1-2;/q-1;+1/i1+1;
NNFCIKHAZHQZJG-YTBWXGASSA-N
CKN
66.109
65.970135
null
23.8
12
0
0
2
0
3
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1,3-DICHLOROACETONE
000534-07-6
10,793
1,3-dichloropropan-2-one
C(C(=O)CCl)Cl
InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2
SUNMBRGCANLOEG-UHFFFAOYSA-N
C3H4Cl2O
126.97
125.96392
1.2
17.1
46
0
0
1
2
6
null
343 °F at 760 mmHg (EPA, 1998)
1
1
1
1
0
0
1
1
0
0
1
0
0
0
0
0
1
0
0
0
POTASSIUM DETRACYANOPLATINATE (II), TRIHYDRATE
014323-36-5
86,278,136
dipotassium;platinum(2+);tetracyanide;tetrahydrate
[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.O.[K+].[K+].[Pt+2]
InChI=1S/4CN.2K.4H2O.Pt/c4*1-2;;;;;;;/h;;;;;;4*1H2;/q4*-1;2*+1;;;;;+2
JJVBDLIBPBLHEW-UHFFFAOYSA-N
C4H8K2N4O4Pt
449.41
448.946762
null
99.2
10
0
4
12
0
15
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
PLATINUM(II) CYANIDE
000592-06-3
68,962
platinum(2+) dicyanide
[C-]#N.[C-]#N.[Pt+2]
InChI=1S/2CN.Pt/c2*1-2;/q2*-1;+2
INXLGDBFWGBBOC-UHFFFAOYSA-N
C2N2Pt
247.12
246.970942
null
47.6
10
0
0
4
0
5
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
POTASSIUM SELENOCYANATE
003425-46-5
76,960
potassium selenocyanate
C(#N)[Se-].[K+]
InChI=1S/CHNSe.K/c2-1-3;/h3H;/q;+1/p-1
KYEKHFSRAXRJBR-UHFFFAOYSA-M
CKNSe
144.09
144.8833
null
23.8
31
0
0
2
0
4
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
PHOSPHOROCHLORIDIC ACID, DIMETHYL ESTER
000813-77-4
101,863
[chloro(methoxy)phosphoryl]oxymethane
COP(=O)(OC)Cl
InChI=1S/C2H6ClO3P/c1-5-7(3,4)6-2/h1-2H3
NGFFLHMFSINFGB-UHFFFAOYSA-N
C2H6ClO3P
144.49
143.974309
0.1
35.5
84
0
0
3
2
7
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
1,10-DIFLUORODECANE
000334-63-4
9,545
1,10-difluorodecane
C(CCCCCF)CCCCF
InChI=1S/C10H20F2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
ADWRJBGWKKLYBU-UHFFFAOYSA-N
C10H20F2
178.26
178.153307
4.5
0
64
0
0
2
9
12
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ETHYL MERCURY CHLORIDE
000107-27-7
7,862
chloro(ethyl)mercury
CC[Hg]Cl
InChI=1S/C2H5.ClH.Hg/c1-2;;/h1H2,2H3;1H;/q;;+1/p-1
QWUGXIXRFGEYBD-UHFFFAOYSA-M
C2H5ClHg
265.1
265.978621
null
0
10
0
0
0
0
4
null
Sublimes (NTP, 1992)
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
MERCUROUS NITRATE [CAS NO. 007782-86-7]
007782-86-7
138,394,175
mercury(1+);nitric acid;hydrate
[N+](=O)(O)[O-].O.[Hg+]
InChI=1S/Hg.HNO3.H2O/c;2-1(3)4;/h;(H,2,3,4);1H2/q+1;;
WEXBYLMYRLHLJK-UHFFFAOYSA-N
H3HgNO4+
281.62
282.976851
null
67.1
24
1
2
4
0
6
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
MERCURY TELLURIDE (HGTE)
012068-90-5
82,914
tellanylidenemercury
[Te]=[Hg]
InChI=1S/Hg.Te
VCEXCCILEWFFBG-UHFFFAOYSA-N
HgTe
328.2
331.876866
null
0
2
0
0
0
0
2
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
POTASSIUM AZIDE (K(N3))
020762-60-1
10,290,740
potassium azide
[N-]=[N+]=[N-].[K+]
InChI=1S/K.N3/c;1-3-2/q+1;-1
TZLVRPLSVNESQC-UHFFFAOYSA-N
KN3
81.119
80.972929
null
3
15
0
0
2
0
4
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
CESIUM AZIDE (CS(N3))
022750-57-8
89,817
cesium azide
[N-]=[N+]=[N-].[Cs+]
InChI=1S/Cs.N3/c;1-3-2/q+1;-1
AYTVLULEEPNWAX-UHFFFAOYSA-N
CsN3
174.926
174.914674
null
3
26
0
0
2
0
4
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
CALCIUM ARSENITE
052740-16-6
40,516
calcium hydrogen arsorite
O[As]([O-])[O-].[Ca+2]
InChI=1S/AsHO3.Ca/c2-1(3)4;/h2H;/q-2;+2
LGBCMHYFFJVCFY-UHFFFAOYSA-N
AsCaHO3
164.01
163.876754
null
66.4
10
0
1
3
0
5
null
null
0
0
0
1
0
1
0
1
0
0
0
0
0
1
0
0
0
0
1
1
HYDROXYCARBONIMIDIC DICHLORIDE
001794-86-1
65,582
N-(dichloromethylidene)hydroxylamine
C(=NO)(Cl)Cl
InChI=1S/CHCl2NO/c2-1(3)4-5/h5H
JIRJHEXNDQBKRZ-UHFFFAOYSA-N
CHCl2NO
113.93
112.943519
2.1
32.6
47
0
1
2
0
5
null
128 °C at 760 mm Hg
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
MERCUROUS CHLORIDE
007546-30-7
24,182
chloromercury
Cl[Hg]
InChI=1S/ClH.Hg/h1H;/q;+1/p-1
RCTYPNKXASFOBE-UHFFFAOYSA-M
ClHg
236.04
236.939496
null
0
2
0
0
0
0
2
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
PLATINUM, DIAMMINEDIIODO-
013841-96-8
11,016,356
azane;diiodoplatinum
N.N.I[Pt]I
InChI=1S/2HI.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2
PNCHTLQBARZRSO-UHFFFAOYSA-L
H6I2N2Pt
482.95
482.82684
null
2
2
0
2
2
0
5
null
null
0
1
0
1
0
1
0
1
0
0
1
0
0
1
1
0
0
1
0
0
MERCURY(II) NITRATE MONOHYDRATE
007783-34-8
3,084,029
mercury(2+);dinitrate;hydrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Hg+2]
InChI=1S/Hg.2NO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1;
KVICROHOONHSRH-UHFFFAOYSA-N
H2HgN2O7
342.62
343.956844
null
127
18
0
1
7
0
10
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
COBALT CYANIDE (CO(CN)2)
000542-84-7
4,194,034
cobalt(2+) dicyanide
[C-]#N.[C-]#N.[Co+2]
InChI=1S/2CN.Co/c2*1-2;/q2*-1;+2
CWZOMTYLSNXUEL-UHFFFAOYSA-N
C2CoN2
110.97
110.939342
null
47.6
31
0
0
4
0
5
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
THALLIUM CARBONATE
006533-73-9
23,031
bis(thallium(1+));carbonate
C(=O)([O-])[O-].[Tl+].[Tl+]
InChI=1S/CH2O3.2Tl/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
DASUJKKKKGHFBF-UHFFFAOYSA-L
CO3Tl2
468.78
469.9336
null
63.2
18
0
0
3
0
6
null
333.6 °C
0
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
POTASSIUM TETRACYANONICKELATE(II) HYDRATE
014220-17-8
61,717
dipotassium;nickel(2+);tetracyanide
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[Ni+2]
InChI=1S/4CN.2K.Ni/c4*1-2;;;/q4*-1;2*+1;+2
LXWJYIBQIPSFSE-UHFFFAOYSA-N
C4K2N4Ni
240.96
239.875051
null
95.2
76
0
0
8
0
11
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
MONOCROTOPHOS
006923-22-4
5,371,562
dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate
C/C(=C\C(=O)NC)/OP(=O)(OC)OC
InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+
KRTSDMXIXPKRQR-AATRIKPKSA-N
C7H14NO5P
223.16
223.06096
-0.2
73.9
267
0
1
5
5
14
Above 200F (EPA, 1998)
257 °F at 0.0005 mmHg (EPA, 1998)
1
1
1
1
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
LACTONITRILE
000078-97-7
6,572
2-hydroxypropanenitrile
CC(C#N)O
InChI=1S/C3H5NO/c1-3(5)2-4/h3,5H,1H3
WOFDVDFSGLBFAC-UHFFFAOYSA-N
C3H5NO
71.08
71.037114
-0.3
44
60
0
1
2
0
5
170 °F (EPA, 1998)
360 to 363 °F at 760 mmHg Slight decomposition (EPA, 1998)
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
SODIUM SELENITE PENTAHYDRATE
026970-82-1
134,930
disodium;selenite;pentahydrate
O.O.O.O.O.[O-][Se](=O)[O-].[Na+].[Na+]
InChI=1S/2Na.H2O3Se.5H2O/c;;1-4(2)3;;;;;/h;;(H2,1,2,3);5*1H2/q2*+1;;;;;;/p-2
TUANAMBRHOLYTH-UHFFFAOYSA-L
H10Na2O8Se
263.03
263.93363
null
68.2
18
0
5
8
0
11
null
null
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
THALLOUS NITRATE
010102-45-1
24,937
thallium(1+) nitrate
[N+](=O)([O-])[O-].[Tl+]
InChI=1S/NO3.Tl/c2-1(3)4;/q-1;+1
FYWSTUCDSVYLPV-UHFFFAOYSA-N
NO3Tl
266.39
266.96225
null
62.9
18
0
0
3
0
5
null
806 °F at 760 mmHg (NTP, 1992)
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
THIOGLYCOLIC ACID
000068-11-1
1,133
2-sulfanylacetic acid
C(C(=O)O)S
InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)
CWERGRDVMFNCDR-UHFFFAOYSA-N
C2H4O2S
92.12
91.993201
0.1
38.3
42
0
2
3
1
5
235 °F (NTP, 1992)
248 °F at 20 mmHg (NTP, 1992)
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
LITHIUM FLUORIDE
007789-24-4
224,478
lithium fluoride
[Li+].[F-]
InChI=1S/FH.Li/h1H;/q;+1/p-1
PQXKHYXIUOZZFA-UHFFFAOYSA-M
FLi
26
26.014407
null
0
2
0
0
1
0
2
null
1673 °C
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
PERCHLOROMETHYL MERCAPTAN
000594-42-3
11,666
trichloromethyl thiohypochlorite
C(SCl)(Cl)(Cl)Cl
InChI=1S/CCl4S/c2-1(3,4)6-5
RYFZYYUIAZYQLC-UHFFFAOYSA-N
CCl4S
185.9
185.844532
3.2
25.3
37
0
0
1
0
6
null
297 to 298 °F at 760 mmHg (EPA, 1998)
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
CHROMIUM(III) FLUORIDE
007788-97-8
522,687
trifluorochromium
F[Cr](F)F
InChI=1S/Cr.3FH/h;3*1H/q+3;;;/p-3
FTBATIJJKIIOTP-UHFFFAOYSA-K
CrF3
108.991
108.935714
null
0
8
0
0
3
0
4
null
null
1
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
1
0
RUBIDIUM FLUORIDE
013446-74-7
83,473
rubidium(1+) fluoride
[F-].[Rb+]
InChI=1S/FH.Rb/h1H;/q;+1/p-1
AHLATJUETSFVIM-UHFFFAOYSA-M
FRb
104.466
103.910193
null
0
2
0
0
1
0
2
null
null
0
1
1
1
0
1
0
1
0
0
0
0
0
0
0
0
1
0
0
1
BERYLLIUM FLUORIDE
007787-49-7
24,589
beryllium difluoride
[Be+2].[F-].[F-]
InChI=1S/Be.2FH/h;2*1H/q+2;;/p-2
JZKFIPKXQBZXMW-UHFFFAOYSA-L
BeF2
47.008989
47.008989
null
0
2
0
0
2
0
3
null
1283 °C
0
1
1
1
0
1
1
0
0
0
0
0
0
0
0
0
1
0
1
0
METHYLTRIOCTYLAMMONIUM CHLORIDE
005137-55-3
21,218
methyl(trioctyl)azanium chloride
CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-]
InChI=1S/C25H54N.ClH/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;/h5-25H2,1-4H3;1H/q+1;/p-1
XKBGEWXEAPTVCK-UHFFFAOYSA-M
C25H54ClN
404.2
403.394478
null
0
220
0
0
1
21
27
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
ALUMINUM FLUORIDE, HYDRATE
032287-65-3
16,211,462
trifluoroalumane;hydrate
O.F[Al](F)F
InChI=1S/Al.3FH.H2O/h;3*1H;1H2/q+3;;;;/p-3
XTXFDUABTPNTFB-UHFFFAOYSA-K
AlF3H2O
101.992
101.987313
null
1
8
0
1
4
0
5
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
AMINOACETONITRILE HYDROCHLORIDE
006011-14-9
11,491,918
2-aminoacetonitrile;hydrochloride
C(C#N)N.Cl
InChI=1S/C2H4N2.ClH/c3-1-2-4;/h1,3H2;1H
XFKYKTBPRBZDFG-UHFFFAOYSA-N
C2H5ClN2
92.53
92.014126
null
49.8
39
0
2
2
0
5
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
POTASSIUM HEXACHLOROOSMIATE
016871-60-6
167,580
dipotassium;osmium(4+);hexachloride
[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[K+].[K+].[Os+4]
InChI=1S/6ClH.2K.Os/h6*1H;;;/q;;;;;;2*+1;+4/p-6
VGKQJCSDERXWRV-UHFFFAOYSA-H
Cl6K2Os
481.1
481.69906
null
0
0
0
0
6
0
9
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SODIUM CHROMATE TETRAHYDRATE
010034-82-9
22,146,515
disodium;dioxido(dioxo)chromium;tetrahydrate
O.O.O.O.[O-][Cr](=O)(=O)[O-].[Na+].[Na+]
InChI=1S/Cr.2Na.4H2O.4O/h;;;4*1H2;;;;/q;2*+1;;;;;;;2*-1
AVHUVTPOXZEIRG-UHFFFAOYSA-N
CrH8Na2O8
234.03
233.94196
null
84.3
62
0
4
8
0
11
null
Decomposes (NTP, 1992)
1
1
1
1
0
1
1
0
0
0
1
0
0
1
1
0
1
1
1
0
HYDRAZINE MONOHYDROCHLORIDE
002644-70-4
115,031
hydrazine;hydrochloride
NN.Cl
InChI=1S/ClH.H4N2/c;1-2/h1H;1-2H2
BIVUUOPIAYRCAP-UHFFFAOYSA-N
ClH5N2
68.51
68.014126
null
52
0
0
3
2
0
3
null
null
1
1
1
1
0
1
1
0
0
0
1
0
0
0
0
0
1
1
0
0
PRASEODYMIUM FLUORIDE
013709-46-1
83,677
trifluoropraseodymium
F[Pr](F)F
InChI=1S/3FH.Pr/h3*1H;/q;;;+3/p-3
BOTHRHRVFIZTGG-UHFFFAOYSA-K
F3Pr
197.90287
197.90287
null
0
8
0
0
3
0
4
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
BERYLLIUM CHLORIDE
007787-47-5
24,588
beryllium dichloride
[Be+2].[Cl-].[Cl-]
InChI=1S/Be.2ClH/h;2*1H/q+2;;/p-2
LWBPNIJBHRISSS-UHFFFAOYSA-L
BeCl2
79.92
78.949888
null
0
2
0
0
2
0
3
null
968 °F at 760 mmHg (sublimes) (USCG, 1999)
1
0
1
1
0
1
1
1
0
0
0
0
0
0
0
0
1
1
1
1
BARIUM CHLORIDE
010361-37-2
25,204
barium(2+) dichloride
[Cl-].[Cl-].[Ba+2]
InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2
WDIHJSXYQDMJHN-UHFFFAOYSA-L
BaCl2
208.23
207.842952
null
0
2
0
0
2
0
3
null
2840 °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
2-BROMOETHANOL
000540-51-2
10,898
2-bromoethanol
C(CBr)O
InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2
LDLCZOVUSADOIV-UHFFFAOYSA-N
C2H5BrO
124.96
123.95238
0.2
20.2
10
0
1
1
1
4
105 °F (NTP, 1992)
300 to 302 °F at 750 mmHg (Decomposes) (NTP, 1992)
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2,2,2-TRICHLORO-1,1-DIMETHYLETHYLCHLOROFORMATE
066270-36-8
5,106,606
(1,1,1-trichloro-2-methylpropan-2-yl) carbonochloridate
CC(C)(C(Cl)(Cl)Cl)OC(=O)Cl
InChI=1S/C5H6Cl4O2/c1-4(2,5(7,8)9)11-3(6)10/h1-2H3
GMELMFSDPDSXOZ-UHFFFAOYSA-N
C5H6Cl4O2
239.9
239.90924
3.6
26.3
160
0
0
2
2
11
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
IODOMETHANE-13C
004227-95-6
9,989,367
iodo(113C)methane
[13CH3]I
InChI=1S/CH3I/c1-2/h1H3/i1+1
INQOMBQAUSQDDS-OUBTZVSYSA-N
CH3I
142.932
142.9313
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
0
0
1
0
0
1
IODOMETHANE-13C-D3
020710-47-8
11,400,850
trideuterio(iodo)(113C)methane
[2H][13C]([2H])([2H])I
InChI=1S/CH3I/c1-2/h1H3/i1+1D3
INQOMBQAUSQDDS-KQORAOOSSA-N
CH3I
145.9501
145.95013
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
0
0
1
0
0
1
RHENIUM HEPTASULFIDE
012038-67-4
159,414
rhenium;heptasulfide
[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[S-2].[Re].[Re]
InChI=1S/2Re.7S/q;;7*-2
USBWXQYIYZPMMN-UHFFFAOYSA-N
Re2S7-14
596.9
595.71321
null
7
0
-14
0
7
0
9
null
null
0
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
DICHLOROACETALDEHYDE
000079-02-7
6,576
2,2-dichloroacetaldehyde
C(=O)C(Cl)Cl
InChI=1S/C2H2Cl2O/c3-2(4)1-5/h1-2H
NWQWQKUXRJYXFH-UHFFFAOYSA-N
C2H2Cl2O
112.94
111.94827
1.1
17.1
34
0
0
1
1
5
140 °F (NTP, 1992)
190 °F at 760 mmHg (NTP, 1992)
1
1
1
1
0
1
0
1
0
0
0
0
0
0
0
0
1
0
0
1
OSMIUM TRICHLORIDE
013444-93-4
83,468
trichloroosmium
Cl[Os](Cl)Cl
InChI=1S/3ClH.Os/h3*1H;/q;;;+3/p-3
UAIHPMFLFVHDIN-UHFFFAOYSA-K
Cl3Os
296.6
296.86804
null
0
8
0
0
0
0
4
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
VANADIUM(IV) CHLORIDE
007632-51-1
24,273
tetrachlorovanadium
Cl[V](Cl)(Cl)Cl
InChI=1S/4ClH.V/h4*1H;/q;;;;+4/p-4
JTJFQBNJBPPZRI-UHFFFAOYSA-J
Cl4V
192.7
192.816418
null
0
19
0
0
0
0
5
null
1518 °C
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SILVER VANADATE
013497-94-4
3,084,155
silver oxido(dioxo)vanadium
[O-][V](=O)=O.[Ag+]
InChI=1S/Ag.3O.V/q+1;;;-1;
RAVDHKVWJUPFPT-UHFFFAOYSA-N
AgO3V
206.808
205.83379
null
57.2
36
0
0
3
0
5
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
STRONTIUM MOLYBDENUM OXIDE
013470-04-7
123,312
strontium dioxido(dioxo)molybdenum
[O-][Mo](=O)(=O)[O-].[Sr+2]
InChI=1S/Mo.4O.Sr/q;;;2*-1;+2
YZJCJRRZBDFNQA-UHFFFAOYSA-N
MoO4Sr
247.57
249.790674
null
80.3
85
0
0
4
0
6
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
1,2-DIBROMOETHYLENE
000540-49-8
10,897
1,2-dibromoethene
C(=CBr)Br
InChI=1S/C2H2Br2/c3-1-2-4/h1-2H
UWTUEMKLYAGTNQ-UHFFFAOYSA-N
C2H2Br2
185.85
185.85028
1.9
0
19
0
0
0
0
4
null
110 °C @ 754 mm Hg
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
1,3-DIAMINOPROPANE DIHYDROCHLORIDE
010517-44-9
165,887
propane-1,3-diamine;dihydrochloride
C(CN)CN.Cl.Cl
InChI=1S/C3H10N2.2ClH/c4-2-1-3-5;;/h1-5H2;2*1H
HYOCSVGEQMCOGE-UHFFFAOYSA-N
C3H12Cl2N2
147.04
146.037754
null
52
12
0
4
2
2
7
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TERT-BUTYL N-(2-HYDROXYETHYL) CARBAMATE
026690-80-2
2,733,206
tert-butyl N-(2-hydroxyethyl)carbamate
CC(C)(C)OC(=O)NCCO
InChI=1S/C7H15NO3/c1-7(2,3)11-6(10)8-4-5-9/h9H,4-5H2,1-3H3,(H,8,10)
GPTXCAZYUMDUMN-UHFFFAOYSA-N
C7H15NO3
161.2
161.105193
0.2
58.6
128
0
2
3
4
11
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
CHROMIUM SELENIDE
012053-13-3
82,886
selanylidenechromium
[Cr]=[Se]
InChI=1S/Cr.Se
UVZCKRKEVWSRGT-UHFFFAOYSA-N
CrSe
130.97
131.85703
null
0
2
0
0
0
0
2
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
(E)-1,4-DIBROMOBUT-2-ENE
000821-06-7
641,245
(E)-1,4-dibromobut-2-ene
C(/C=C/CBr)Br
InChI=1S/C4H6Br2/c5-3-1-2-4-6/h1-2H,3-4H2/b2-1+
RMXLHIUHKIVPAB-OWOJBTEDSA-N
C4H6Br2
213.9
213.88158
2.1
0
34
0
0
0
2
6
greater than 235 °F (NTP, 1992)
397 °F at 760 mmHg (NTP, 1992)
0
1
1
1
0
1
1
1
0
0
0
0
0
0
0
0
1
1
0
0
2-CHLOROETHANESULFONYL CHLORIDE
001622-32-8
15,385
2-chloroethanesulfonyl chloride
C(CCl)S(=O)(=O)Cl
InChI=1S/C2H4Cl2O2S/c3-1-2-7(4,5)6/h1-2H2
VHCSBTPOPKFYIU-UHFFFAOYSA-N
C2H4Cl2O2S
163.02
161.930906
1
42.5
121
0
0
2
2
7
null
392 to 397 °F at 760 mmHg (EPA, 1998)
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2,2,4,4,6,8,8-HEPTAMETHYLNONANE
004390-04-9
20,414
2,2,4,4,6,8,8-heptamethylnonane
CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C
InChI=1S/C16H34/c1-13(10-14(2,3)4)11-16(8,9)12-15(5,6)7/h13H,10-12H2,1-9H3
VCLJODPNBNEBKW-UHFFFAOYSA-N
C16H34
226.44
226.266051
7.3
0
197
0
0
0
6
16
null
null
0
1
0
1
1
1
0
1
0
0
0
0
0
0
0
0
1
0
0
0
GERMANIUM DISELENIDE
012065-11-1
82,903
bis(selanylidene)germane
[Ge](=[Se])=[Se]
InChI=1S/GeSe2/c2-1-3
WYDSCDJEAVCHQJ-UHFFFAOYSA-N
GeSe2
230.6
233.75422
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
1-CYANOVINYL ACETATE
003061-65-2
18,291
1-cyanoethenyl acetate
CC(=O)OC(=C)C#N
InChI=1S/C5H5NO2/c1-4(3-6)8-5(2)7/h1H2,2H3
LFSHREXVLSTLFB-UHFFFAOYSA-N
C5H5NO2
111.1
111.032028
0.5
50.1
163
0
0
3
2
8
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
METHYL BROMOACETATE-2,2-D2
163886-16-6
16,213,462
methyl 2-bromo-2,2-dideuterioacetate
[2H]C([2H])(C(=O)OC)Br
InChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3/i2D2
YDCHPLOFQATIDS-CBTSVUPCSA-N
C3H5BrO2
154.99
153.95985
0.9
26.3
52
0
0
2
2
6
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
2-BROMO-2-METHYLPROPIONAMIDE
007462-74-0
101,235
2-bromo-2-methylpropanamide
CC(C)(C(=O)N)Br
InChI=1S/C4H8BrNO/c1-4(2,5)3(6)7/h1-2H3,(H2,6,7)
WTRIMJTZOOLIFZ-UHFFFAOYSA-N
C4H8BrNO
166.02
164.97893
0.5
43.1
89
0
1
1
1
7
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
2-FLUOROPROPANEDIOIC ACID 1,3-DIMETHYL ESTER
000344-14-9
2,737,111
dimethyl 2-fluoropropanedioate
COC(=O)C(C(=O)OC)F
InChI=1S/C5H7FO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3
ZVXHZSXYHFBIEW-UHFFFAOYSA-N
C5H7FO4
150.1
150.032837
0.6
52.6
129
0
0
5
4
10
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHOROUS ACID, TRI-2-PROPENYL ESTER
000102-84-1
66,893
tris(prop-2-enyl) phosphite
C=CCOP(OCC=C)OCC=C
InChI=1S/C9H15O3P/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-6H,1-3,7-9H2
KJWHEZXBZQXVSA-UHFFFAOYSA-N
C9H15O3P
202.19
202.075881
2
27.7
130
0
0
3
9
13
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
BUTANENITRILE, 4-CHLORO-3-HYDROXY-
000105-33-9
92,736
4-chloro-3-hydroxybutanenitrile
C(C#N)C(CCl)O
InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2
LHBPNZDUNCZWFL-UHFFFAOYSA-N
C4H6ClNO
119.55
119.013792
-0.1
44
84
0
1
2
2
7
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
ISOPROPYL PHOSPHITE
000116-17-6
8,304
tripropan-2-yl phosphite
CC(C)OP(OC(C)C)OC(C)C
InChI=1S/C9H21O3P/c1-7(2)10-13(11-8(3)4)12-9(5)6/h7-9H,1-6H3
SJHCUXCOGGKFAI-UHFFFAOYSA-N
C9H21O3P
208.23
208.122832
2.5
27.7
102
0
0
3
6
13
165 °F Open Cup; 73.9 °C Closed Cup
94 to 96 °C at 50 mm Hg
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PROPANE, 1-ISOTHIOCYANATO-3-(METHYLTHIO)-
000505-79-3
62,351
1-isothiocyanato-3-methylsulfanylpropane
CSCCCN=C=S
InChI=1S/C5H9NS2/c1-8-4-2-3-6-5-7/h2-4H2,1H3
LDKSCZJUIURGMW-UHFFFAOYSA-N
C5H9NS2
147.3
147.017642
2.6
69.8
86
0
0
3
4
8
null
254.00 °C. @ 760.00 mm Hg
1
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
THIOUREA, ETHYL-
000625-53-6
3,032,338
ethylthiourea
CCNC(=S)N
InChI=1S/C3H8N2S/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
GMEHFXXZSWDEDB-UHFFFAOYSA-N
C3H8N2S
104.18
104.040819
-0.2
70.1
52
0
2
1
1
6
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
CHLOROETHYL CHLOROFORMATE
000627-11-2
12,305
2-chloroethyl carbonochloridate
C(CCl)OC(=O)Cl
InChI=1S/C3H4Cl2O2/c4-1-2-7-3(5)6/h1-2H2
SVDDJQGVOFZBNX-UHFFFAOYSA-N
C3H4Cl2O2
142.97
141.958835
1.8
26.3
64
0
0
2
3
7
null
312.3 °F at 760 mmHg (EPA, 1998)
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
MERCUROUS ACETATE
000631-60-7
61,181
mercury(1+) acetate
CC(=O)[O-].[Hg+]
InChI=1S/C2H4O2.Hg/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
WRYNUJYAXVDTCB-UHFFFAOYSA-M
C2H3HgO2
259.64
260.983948
null
40.1
25
0
0
2
0
5
null
null
0
1
0
1
0
0
0
0
0
0
1
0
0
1
0
0
1
1
1
1
ACETAMIDE, N-(AMINOCARBONYL)-2-CYANO-
001448-98-2
74,055
N-carbamoyl-2-cyanoacetamide
C(C#N)C(=O)NC(=O)N
InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(6)9/h1H2,(H3,6,7,8,9)
QJGRPCPCQQPZLZ-UHFFFAOYSA-N
C4H5N3O2
127.1
127.038176
-0.8
96
177
0
2
3
1
9
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-ETHYLHEXANOIC ACID, CADMIUM SALT
002420-98-6
17,023
cadmium(2+);bis(2-ethylhexanoate)
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Cd+2]
InChI=1S/2C8H16O2.Cd/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
RXROCZREIWVERD-UHFFFAOYSA-L
C16H30CdO4
398.82
400.117774
null
80.3
93
0
0
4
8
21
null
null
1
1
1
1
0
1
1
0
0
0
1
0
0
1
0
0
0
0
1
0
DISTANNATHIANE, HEXABUTYL-
004808-30-4
16,682,974
tributyl(tributylstannylsulfanyl)stannane
CCCC[Sn](CCCC)(CCCC)S[Sn](CCCC)(CCCC)CCCC
InChI=1S/6C4H9.S.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;
BDIWFCKBPZPBQT-UHFFFAOYSA-N
C24H54SSn2
612.2
612.19843
null
25.3
246
0
0
1
20
27
null
null
1
1
0
1
0
0
1
1
0
0
0
0
0
1
0
0
1
0
1
0
HEXADECANOIC ACID, CADMIUM SALT
006427-86-7
21,149,332
cadmium(2+);bis(hexadecanoate)
CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Cd+2]
InChI=1S/2C16H32O2.Cd/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2
DNLGWCVZSDBXAH-UHFFFAOYSA-L
C32H62CdO4
623.2
624.368175
null
80.3
172
0
0
4
26
37
null
null
0
1
1
1
0
1
0
0
0
0
1
0
0
1
0
0
0
0
1
0
2-OCTANONE, OXIME
007207-49-0
81,628
N-octan-2-ylidenehydroxylamine
CCCCCCC(=NO)C
InChI=1S/C8H17NO/c1-3-4-5-6-7-8(2)9-10/h10H,3-7H2,1-2H3
GZRPVYSKBVDCBV-UHFFFAOYSA-N
C8H17NO
143.23
143.131014
2.7
32.6
99
0
1
2
5
10
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
ARSENOUS TRIIODIDE
007784-45-4
24,575
triiodoarsane
[As](I)(I)I
InChI=1S/AsI3/c2-1(3)4
IKIBSPLDJGAHPX-UHFFFAOYSA-N
AsI3
455.635
455.635
null
0
8
0
0
0
0
4
null
424 °C
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
ACETIC ACID, MERCAPTO-, BUTYL ESTER
010047-28-6
82,321
butyl 2-sulfanylacetate
CCCCOC(=O)CS
InChI=1S/C6H12O2S/c1-2-3-4-8-6(7)5-9/h9H,2-5H2,1H3
SKGVGRLWZVRZDC-UHFFFAOYSA-N
C6H12O2S
148.23
148.055801
1.7
27.3
83
0
1
3
5
9
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
GALLIUM SELENIDE (GASE)
012024-11-2
165,984
selanylidenegallane
[GaH]=[Se]
InChI=1S/Ga.Se.H
HDBJXFMVKCGIKP-UHFFFAOYSA-N
GaHSe
149.7
149.84992
null
0
2
0
0
0
0
2
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
HYDRAZINE, SULFATE (2:1)
013464-80-7
26,043
hydrazine;sulfuric acid
NN.NN.OS(=O)(=O)O
InChI=1S/2H4N2.H2O4S/c2*1-2;1-5(2,3)4/h2*1-2H2;(H2,1,2,3,4)
DBLJAFVPFHRQSP-UHFFFAOYSA-N
H10N4O4S
162.17
162.042276
null
187
81
0
6
8
0
9
null
null
1
1
1
1
0
1
1
0
0
0
0
0
0
0
0
0
0
1
0
0
HYDRAZINE, MONOHYDROBROMIDE
013775-80-9
159,693
hydrazine;hydrobromide
NN.Br
InChI=1S/BrH.H4N2/c;1-2/h1H;1-2H2
DVHXJLRODLTJOD-UHFFFAOYSA-N
BrH5N2
112.96
111.96361
null
52
0
0
3
2
0
3
null
null
1
1
1
1
0
1
1
0
0
0
0
0
0
0
0
0
0
1
0
0
STANNANE, BUTOXYDIBUTYLCHLORO-
014254-22-9
16,684,007
butoxy-dibutyl-chlorostannane
CCCCO[Sn](CCCC)(CCCC)Cl
InChI=1S/C4H9O.2C4H9.ClH.Sn/c1-2-3-4-5;2*1-3-4-2;;/h2-4H2,1H3;2*1,3-4H2,2H3;1H;/q-1;;;;+2/p-1
HMNBEAWAEJQTRZ-UHFFFAOYSA-M
C12H27ClOSn
341.5
342.077246
null
9.2
134
0
0
1
10
15
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
COBALT ARSENIDE (COAS)
027016-73-5
117,908
arsanylidynecobalt
[Co]#[As]
InChI=1S/As.Co
NMLUQMQPJQWTFK-UHFFFAOYSA-N
AsCo
133.85479
133.85479
null
0
10
0
0
0
0
2
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
PROPANAMIDE, 3-MERCAPTO-N-METHYL-
052334-99-3
642,906
N-methyl-3-sulfanylpropanamide
CNC(=O)CCS
InChI=1S/C4H9NOS/c1-5-4(6)2-3-7/h7H,2-3H2,1H3,(H,5,6)
VYQTZFNKSHBQKY-UHFFFAOYSA-N
C4H9NOS
119.19
119.040485
-0.2
30.1
64
0
2
2
2
7
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0