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
PERFLUOROOCTANESULFONYL FLUORIDE
000307-35-7
9,388
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride
C(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C8F18O2S/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
BHFJBHMTEDLICO-UHFFFAOYSA-N
C8F18O2S
502.12
501.933157
6
42.5
724
0
0
20
7
29
null
154 °C
0
0
1
1
0
0
1
1
0
0
0
0
0
1
0
0
1
0
1
0
POTASSIUM HEPTAFLUOROTANTALATE(V)
016924-00-8
28,146
dipotassium;heptafluorotantalum(2-)
F[Ta-2](F)(F)(F)(F)(F)F.[K+].[K+]
InChI=1S/7FH.2K.Ta/h7*1H;;;/q;;;;;;;2*+1;+5/p-7
DPXAUKPQZOAHGF-UHFFFAOYSA-G
F7K2Ta
392.133
391.86423
null
0
96
0
0
8
0
10
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
POTASSIUM TETRACHLOROPALLADATE(II)
010025-98-6
61,438
dipotassium;tetrachloropalladium(2-)
Cl[Pd-2](Cl)(Cl)Cl.[K+].[K+]
InChI=1S/4ClH.2K.Pd/h4*1H;;;/q;;;;2*+1;+2/p-4
LGCKLDWLSVFMGL-UHFFFAOYSA-J
Cl4K2Pd
326.4
325.70335
null
0
19
0
0
1
0
7
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
1
POTASSIUM HEXAFLUOROTITANATE(IV)
016919-27-0
11,064,502
dipotassium;hexafluorotitanium(2-)
F[Ti-2](F)(F)(F)(F)F.[K+].[K+]
InChI=1S/6FH.2K.Ti/h6*1H;;;/q;;;;;;2*+1;+4/p-6
RXCBCUJUGULOGC-UHFFFAOYSA-H
F6K2Ti
240.054
239.865773
null
0
62
0
0
7
0
9
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
1
AMMONIUM DIHYDROGEN ARSENATE
013462-93-6
166,814
azanium dihydrogen arsorate
[NH4+].O[As](=O)(O)[O-]
InChI=1S/AsH3O4.H3N/c2-1(3,4)5;/h(H3,2,3,4,5);1H3
VTWJXWNBCACAAK-UHFFFAOYSA-N
AsH6NO4
158.97
158.951277
null
81.6
49
0
3
4
0
6
null
null
1
0
1
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
POTASSIUM HEXAFLUOROZIRCONATE
016923-95-8
56,828,182
dipotassium;hexafluorozirconium(2-)
F[Zr-2](F)(F)(F)(F)F.[K+].[K+]
InChI=1S/6FH.2K.Zr/h6*1H;;;/q;;;;;;2*+1;+4/p-6
BJZIJOLEWHWTJO-UHFFFAOYSA-H
F6K2Zr
283.41
281.822531
null
0
62
0
0
7
0
9
null
null
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
PERFLUOROOCTANONITRILE
000647-12-1
69,536
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanenitrile
C(#N)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C8F15N/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23
FULLNJNBFUCVES-UHFFFAOYSA-N
C8F15N
395.07
394.979121
5.1
23.8
531
0
0
16
5
24
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM HEXACHLOROOSMIATE (IV)
001307-81-9
44,151,190
disodium;hexachloroosmium(2-)
[Na+].[Na+].Cl[Os-2](Cl)(Cl)(Cl)(Cl)Cl
InChI=1S/6ClH.2Na.Os/h6*1H;;;/q;;;;;;2*+1;+4/p-6
PVTVRPSPEDISMV-UHFFFAOYSA-H
Cl6Na2Os
448.9
449.75118
null
0
62
0
0
1
0
9
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
BUTYL ISOTHIOCYANATE
000592-82-5
11,613
1-isothiocyanatobutane
CCCCN=C=S
InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
LIMQQADUEULBSO-UHFFFAOYSA-N
C5H9NS
115.2
115.045571
2.9
44.5
74
0
0
2
3
7
null
168.00 °C. @ 760.00 mm Hg
0
1
1
1
0
0
0
1
0
0
0
0
0
0
1
0
1
1
0
0
AMMONIUM HEXACHLOROPALLADATE(IV)
019168-23-1
62,732
diazanium;hexachloropalladium(2-)
[NH4+].[NH4+].Cl[Pd-2](Cl)(Cl)(Cl)(Cl)Cl
InChI=1S/6ClH.2H3N.Pd/h6*1H;2*1H3;/q;;;;;;;;+4/p-4
LOLIPEAFAJNGJM-UHFFFAOYSA-J
Cl6H8N2Pd
355.2
353.78239
null
2
62
0
2
1
0
9
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
AMMONIUM HEXACHLORORUTHENATE(IV)
018746-63-9
46,173,598
diazanium;hexachlororuthenium(2-)
[NH4+].[NH4+].Cl[Ru-2](Cl)(Cl)(Cl)(Cl)Cl
InChI=1S/6ClH.2H3N.Ru/h6*1H;2*1H3;/q;;;;;;;;+4/p-4
DHTSBQSPUBOKKI-UHFFFAOYSA-J
Cl6H8N2Ru
349.9
349.783255
null
2
62
0
2
1
0
9
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
LITHIUM DEUTEROXIDE
012159-20-5
16,212,284
null
[2H][O-].[Li+]
InChI=1S/Li.H2O/h;1H2/q+1;/p-1/i/hD
WMFOQBRAJBCJND-DYCDLGHISA-M
HLiO
25
25.02502
null
1
2
0
1
1
0
2
null
null
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ERBIUM FLUORIDE
013760-83-3
83,713
trifluoroerbium
F[Er](F)F
InChI=1S/Er.3FH/h;3*1H/q+3;;;/p-3
QGJSAGBHFTXOTM-UHFFFAOYSA-K
ErF3
224.25
222.925511
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
HEXACARBONYL VANADIUM
020644-87-5
6,097,005
carbon monoxide;vanadium
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[V]
InChI=1S/6CO.V/c6*1-2;
BVSRFQDQORQURQ-UHFFFAOYSA-N
C6O6V
219
218.913445
null
6
10
0
0
6
0
13
null
null
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
HEXACARBONYLCHROMIUM
013007-92-6
25,589
carbon monoxide;chromium
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChI=1S/6CO.Cr/c6*1-2;
KOTQLLUQLXWWDK-UHFFFAOYSA-N
C6CrO6
220.06
219.909992
null
6
10
0
0
6
0
13
null
410 °F at 760 mmHg (violent decomposition) (NTP, 1992)
1
0
0
1
0
1
1
0
0
0
0
0
0
0
0
0
0
1
0
0
FERRIC FLUORIDE
007783-50-8
24,552
trifluoroiron
F[Fe](F)F
InChI=1S/3FH.Fe/h3*1H;/q;;;+3/p-3
SHXXPRJOPFJRHA-UHFFFAOYSA-K
F3Fe
112.84
112.930145
null
0
8
0
0
3
0
4
null
Sublimes >1832.0 °F (USCG, 1999)
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ZINC ARSENIDE
012006-40-5
25,147,458
null
[Zn].[Zn]=[As].[Zn]=[As]
InChI=1S/2As.3Zn
RHKSESDHCKYTHI-UHFFFAOYSA-N
As2Zn3
346
343.62751
null
0
6
0
0
0
0
5
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
TRIETHYLENE GLYCOL DICHLORIDE
000112-26-5
8,171
1,2-bis(2-chloroethoxy)ethane
C(COCCCl)OCCCl
InChI=1S/C6H12Cl2O2/c7-1-3-9-5-6-10-4-2-8/h1-6H2
AGYUOJIYYGGHKV-UHFFFAOYSA-N
C6H12Cl2O2
187.06
186.021435
1.1
18.5
53
0
0
2
7
10
250 °F; 121 °C (OPEN CUP)
241.3 °C
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
AMMONIUM TETRACHLOROPLATINATE
013820-41-2
16,211,508
diazanium;tetrachloroplatinum(2-)
[NH4+].[NH4+].Cl[Pt-2](Cl)(Cl)Cl
InChI=1S/4ClH.2H3N.Pt/h4*1H;2*1H3;/q;;;;;;+2/p-2
QJIMNDWDOXTTBR-UHFFFAOYSA-L
Cl4H8N2Pt
373
372.906003
null
2
19
0
2
1
0
7
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
1
0
1
1
0
0
1,5-DICYANOPENTANE
000646-20-8
12,590
heptanedinitrile
C(CCC#N)CCC#N
InChI=1S/C7H10N2/c8-6-4-2-1-3-5-7-9/h1-5H2
LLEVMYXEJUDBTA-UHFFFAOYSA-N
C7H10N2
122.17
122.084398
0.1
47.6
125
0
0
2
4
9
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
LITHIUM HEXAFLUOROPHOSPHATE
021324-40-3
23,688,915
lithium hexafluorophosphate
[Li+].F[P-](F)(F)(F)(F)F
InChI=1S/F6P.Li/c1-7(2,3,4,5)6;/q-1;+1
AXPLOJNSKRXQPA-UHFFFAOYSA-N
F6LiP
151.9
151.980184
null
0
67
0
0
7
0
8
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
1
0
AMMONIUM ZIRCONIUM FLUORIDE
016919-31-6
46,173,004
diazanium;hexafluorozirconium(2-)
[NH4+].[NH4+].F[Zr-2](F)(F)(F)(F)F
InChI=1S/6FH.2H3N.Zr/h6*1H;2*1H3;/q;;;;;;;;+4/p-4
LPFRXGDQGULMEN-UHFFFAOYSA-J
F6H8N2Zr
241.29
239.963866
null
2
62
0
2
7
0
9
null
null
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
1
1
ADIPONITRILE
000111-69-3
8,128
hexanedinitrile
C(CCC#N)CC#N
InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2
BTGRAWJCKBQKAO-UHFFFAOYSA-N
C6H8N2
108.14
108.068748
-0.3
47.6
113
0
0
2
3
8
199.4 °F (EPA, 1998)
563 °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
SODIUM SELENATE DECAHYDRATE
010102-23-5
202,320
disodium;selenate;decahydrate
O.O.O.O.O.O.O.O.O.O.[O-][Se](=O)(=O)[O-].[Na+].[Na+]
InChI=1S/2Na.H2O4Se.10H2O/c;;1-5(2,3)4;;;;;;;;;;/h;;(H2,1,2,3,4);10*1H2/q2*+1;;;;;;;;;;;/p-2
TYVNFQRMDPFYPC-UHFFFAOYSA-L
H20Na2O14Se
369.1
369.98137
null
90.3
62
0
10
14
0
17
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
VANADIUM (III) ACETYLACETONATE
013476-99-8
5,377,225
tris((Z)-4-hydroxypent-3-en-2-one);vanadium
C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[V]
InChI=1S/3C5H8O2.V/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;
MFWFDRBPQDXFRC-LNTINUHCSA-N
C15H24O6V
351.29
351.101246
null
112
380
0
3
6
3
22
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ALUMINUM ARSENIDE
022831-42-1
89,859
alumanylidynearsane
[Al]#[As]
InChI=1S/Al.As
MDPILPRLPQYEEN-UHFFFAOYSA-N
AlAs
101.90313
101.903133
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
GALLIUM SELENIDE
012024-24-7
165,985
digallium;tris(selenium(2-))
[Ga+3].[Ga+3].[Se-2].[Se-2].[Se-2]
InChI=1S/2Ga.3Se/q2*+3;3*-2
ZZEMEJKDTZOXOI-UHFFFAOYSA-N
Ga2Se3
376.4
377.60063
null
0
0
0
0
3
0
5
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
INDIUM SELENIDE
012056-07-4
166,055
bis(indium(3+));tris(selenium(2-))
[Se-2].[Se-2].[Se-2].[In+3].[In+3]
InChI=1S/2In.3Se/q2*+3;3*-2
AKUCEXGLFUSJCD-UHFFFAOYSA-N
In2Se3
466.5
467.55811
null
0
0
0
0
3
0
5
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
SELENIUM(IV) CHLORIDE
010026-03-6
66,205
null
Cl[Se](Cl)(Cl)Cl
InChI=1S/Cl4Se/c1-5(2,3)4
LNBXMNQCXXEHFT-UHFFFAOYSA-N
Cl4Se
220.8
221.78898
null
0
19
0
0
0
0
5
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
1,2,3-TRIS(2-CYANOETHOXY)PROPANE
002465-93-2
75,572
3-[2,3-bis(2-cyanoethoxy)propoxy]propanenitrile
C(COCC(COCCC#N)OCCC#N)C#N
InChI=1S/C12H17N3O3/c13-4-1-7-16-10-12(18-9-3-6-15)11-17-8-2-5-14/h12H,1-3,7-11H2
ALGVJKNIAOBBBJ-UHFFFAOYSA-N
C12H17N3O3
251.28
251.126991
-1.1
99.1
319
0
0
6
11
18
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
COPPER SELENIDE
001317-41-5
73,980
copper selenium(2-)
[Cu+2].[Se-2]
InChI=1S/Cu.Se/q+2;-2
QMULOZLYOQCZOH-UHFFFAOYSA-N
CuSe
142.52
142.84612
null
0
0
0
0
1
0
2
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
MANGANESE CARBONYL
010170-69-1
6,096,972
carbon monoxide;manganese
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn].[Mn]
InChI=1S/10CO.2Mn/c10*1-2;;
QFEOTYVTTQCYAZ-UHFFFAOYSA-N
C10Mn2O10
389.98
389.825232
null
10
10
0
0
10
0
22
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
AMPSO
068399-79-1
100,211
2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonic acid
CC(C)(CO)NCC(CS(=O)(=O)O)O
InChI=1S/C7H17NO5S/c1-7(2,5-9)8-3-6(10)4-14(11,12)13/h6,8-10H,3-5H2,1-2H3,(H,11,12,13)
ACERFIHBIWMFOR-UHFFFAOYSA-N
C7H17NO5S
227.28
227.082744
-4.3
115
256
0
4
6
6
14
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TRIBUTYLTIN ACETATE
000056-36-0
16,682,741
tributylstannyl acetate
CCCC[Sn](CCCC)(CCCC)OC(=O)C
InChI=1S/3C4H9.C2H4O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3,(H,3,4);/q;;;;+1/p-1
PWBHRVGYSMBMIO-UHFFFAOYSA-M
C14H30O2Sn
349.1
350.126783
null
26.3
183
0
0
2
11
17
null
null
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
0
METHYL ISOTHIOCYANATE
000556-61-6
11,167
methylimino(sulfanylidene)methane
CN=C=S
InChI=1S/C2H3NS/c1-3-2-4/h1H3
LGDSHSYDSCRFAB-UHFFFAOYSA-N
C2H3NS
73.12
72.99862
0.9
44.5
44
0
0
2
0
4
20 °F
246 °F at 760 mmHg (EPA, 1998)
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
1
1
0
0
SULFURYL CHLORIDE FLUORIDE
013637-84-8
26,159
sulfuryl chloride fluoride
O=S(=O)(F)Cl
InChI=1S/ClFO2S/c1-5(2,3)4
IXPAAHZTOUOJJM-UHFFFAOYSA-N
ClFO2S
118.52
117.929156
0.9
42.5
95
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
0
TRIS(2-AMINOETHYL)AMINE
004097-89-6
77,731
N',N'-bis(2-aminoethyl)ethane-1,2-diamine
C(CN(CCN)CCN)N
InChI=1S/C6H18N4/c7-1-4-10(5-2-8)6-3-9/h1-9H2
MBYLVOKEDDQJDY-UHFFFAOYSA-N
C6H18N4
146.23
146.153147
-2.6
81.3
52
0
3
4
6
10
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
CADMIUM FLUORIDE
007790-79-6
24,634
difluorocadmium
F[Cd]F
InChI=1S/Cd.2FH/h;2*1H/q+2;;/p-2
LVEULQCPJDDSLD-UHFFFAOYSA-L
CdF2
150.41
151.900171
null
0
2
0
0
2
0
3
null
null
1
0
1
1
0
1
1
0
0
0
1
0
0
1
0
0
0
0
1
0
DIBUTYL TIN DICHLORIDE
000683-18-1
12,688
dibutyl(dichloro)stannane
CCCC[Sn](CCCC)(Cl)Cl
InChI=1S/2C4H9.2ClH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2
RJGHQTVXGKYATR-UHFFFAOYSA-L
C8H18Cl2Sn
303.84
303.980759
null
0
84
0
0
0
6
11
335 °F (open cup)
135 °C @ 10 mm Hg
1
1
1
1
0
0
1
0
0
0
1
0
0
1
0
0
1
0
1
0
SILICON (IV) IODIDE
013465-84-4
83,498
tetraiodosilane
[Si](I)(I)(I)I
InChI=1S/I4Si/c1-5(2,3)4
CFTHARXEQHJSEH-UHFFFAOYSA-N
I4Si
535.703
535.5948
null
0
19
0
0
0
0
5
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
1
1
0
1
1
0
0
RUTHENIUM(III)2,4-PENTANEDIONATE
014284-93-6
5,462,865
tris((Z)-4-hydroxypent-3-en-2-one);ruthenium
C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.C/C(=C/C(=O)C)/O.[Ru]
InChI=1S/3C5H8O2.Ru/c3*1-4(6)3-5(2)7;/h3*3,6H,1-2H3;/b3*4-3-;
IYWJIYWFPADQAN-LNTINUHCSA-N
C15H24O6Ru
401.4
402.061629
null
112
380
0
3
6
3
22
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
1,5-HEXADIENE-3,4-DIOL
001069-23-4
14,042
hexa-1,5-diene-3,4-diol
C=CC(C(C=C)O)O
InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2
KUQWZSZYIQGTHT-UHFFFAOYSA-N
C6H10O2
114.14
114.06808
0.2
40.5
76
0
2
2
3
8
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
GLUTARYL DICHLORIDE
002873-74-7
17,887
pentanedioyl dichloride
C(CC(=O)Cl)CC(=O)Cl
InChI=1S/C5H6Cl2O2/c6-4(8)2-1-3-5(7)9/h1-3H2
YVOFTMXWTWHRBH-UHFFFAOYSA-N
C5H6Cl2O2
169
167.974485
1.5
34.1
108
0
0
2
4
9
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
N-NITROSODIMETHYLAMINE-D6
017829-05-9
146,418
N,N-bis(trideuteriomethyl)nitrous amide
[2H]C([2H])([2H])N(C([2H])([2H])[2H])N=O
InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3/i1D3,2D3
UMFJAHHVKNCGLG-WFGJKAKNSA-N
C2H6N2O
80.12
80.085673
-0.6
32.7
34
0
0
3
0
5
null
null
0
0
1
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
1
0
LEAD SELENATE
007446-15-3
53,471,519
lead(2+) selenate
[O-][Se](=O)(=O)[O-].[Pb+2]
InChI=1S/H2O4Se.Pb/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2
PKMXSWXQNCMWNG-UHFFFAOYSA-L
O4PbSe
350
351.87283
null
80.3
62
0
0
4
0
6
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
GLUTARONITRILE
000544-13-8
10,994
pentanedinitrile
C(CC#N)CC#N
InChI=1S/C5H6N2/c6-4-2-1-3-5-7/h1-3H2
ZTOMUSMDRMJOTH-UHFFFAOYSA-N
C5H6N2
94.11
94.053098
-0.7
47.6
104
0
0
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
HEXYL CHLOROFORMATE
006092-54-2
22,466
hexyl carbonochloridate
CCCCCCOC(=O)Cl
InChI=1S/C7H13ClO2/c1-2-3-4-5-6-10-7(8)9/h2-6H2,1H3
KIWBRXCOTCXSSZ-UHFFFAOYSA-N
C7H13ClO2
164.63
164.060407
3.5
26.3
93
0
0
2
6
10
null
60-61 °C at 7 mm Hg
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
METHOXYETHYL MERCURY CHLORIDE
000123-88-6
12,521,357
chloro(2-methoxyethyl)mercury
COCC[Hg]Cl
InChI=1S/C3H7O.ClH.Hg/c1-3-4-2;;/h1,3H2,2H3;1H;/q;;+1/p-1
VJTAZCKMHINUKO-UHFFFAOYSA-M
C3H7ClHgO
295.13
295.989186
null
9.2
26
0
0
1
2
6
null
null
1
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
1
0
1
0
THULIUM (III) FLUORIDE
013760-79-7
83,710
trifluorothulium
F[Tm](F)F
InChI=1S/3FH.Tm/h3*1H;/q;;;+3/p-3
AATUHDXSJTXIHB-UHFFFAOYSA-K
F3Tm
225.92943
225.929428
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
ALUMINUM SELENIDE
001302-82-5
164,804
dialuminum;tris(selenium(2-))
[Al+3].[Al+3].[Se-2].[Se-2].[Se-2]
InChI=1S/2Al.3Se/q2*+3;3*-2
CYRGZAAAWQRSMF-UHFFFAOYSA-N
Al2Se3
290.9
291.71343
null
0
0
0
0
3
0
5
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
BIS(TRIETHOXYSILYL)METHANE
018418-72-9
9,798,044
triethoxy(triethoxysilylmethyl)silane
CCO[Si](C[Si](OCC)(OCC)OCC)(OCC)OCC
InChI=1S/C13H32O6Si2/c1-7-14-20(15-8-2,16-9-3)13-21(17-10-4,18-11-5)19-12-6/h7-13H2,1-6H3
NIINUVYELHEORX-UHFFFAOYSA-N
C13H32O6Si2
340.56
340.173742
null
55.4
197
0
0
6
14
21
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
N-OCTYL ISOTHIOCYANATE
004430-45-9
78,161
1-isothiocyanatooctane
CCCCCCCCN=C=S
InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
YEZHGQZHWKJPCM-UHFFFAOYSA-N
C9H17NS
171.31
171.108171
5
44.5
117
0
0
2
7
11
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
EUROPIUM (II) FLUORIDE, ANHYDROUS
014077-39-5
21,225,127
europium(2+) difluoride
[F-].[F-].[Eu+2]
InChI=1S/Eu.2FH/h;2*1H/q+2;;/p-2
YLDGIMHVWSTRML-UHFFFAOYSA-L
EuF2
189.961
190.91804
null
0
0
0
0
2
0
3
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
N,N-DIISOPROPYLFORMAMIDE
002700-30-3
75,912
N,N-di(propan-2-yl)formamide
CC(C)N(C=O)C(C)C
InChI=1S/C7H15NO/c1-6(2)8(5-9)7(3)4/h5-7H,1-4H3
UNBDDZDKBWPHAX-UHFFFAOYSA-N
C7H15NO
129.2
129.115364
1.3
20.3
80
0
0
1
2
9
null
null
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
METHANESELENINIC ACID
028274-57-9
161,597
methaneseleninic acid
C[Se](=O)O
InChI=1S/CH4O2Se/c1-4(2)3/h1H3,(H,2,3)
UEQANLFPOFICBH-UHFFFAOYSA-N
CH4O2Se
127.01
127.93765
null
37.3
33
0
1
2
0
4
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
1
0
1
0
DIMETHYL SELENIDE
000593-79-3
11,648
methylselanylmethane
C[Se]C
InChI=1S/C2H6Se/c1-3-2/h1-2H3
RVIXKDRPFPUUOO-UHFFFAOYSA-N
C2H6Se
109.04
109.96347
null
0
2
0
0
0
0
3
null
57 °C
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
2-BROMOPROPIONIC ACID
000598-72-1
11,729
2-bromopropanoic acid
CC(C(=O)O)Br
InChI=1S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
MONMFXREYOKQTI-UHFFFAOYSA-N
C3H5BrO2
152.97
151.94729
0.9
37.3
61
0
1
2
1
6
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
COBALT (III) FLUORIDE
010026-18-3
66,208
trifluorocobalt
F[Co](F)F
InChI=1S/Co.3FH/h;3*1H/q+3;;;/p-3
WZJQNLGQTOCWDS-UHFFFAOYSA-K
CoF3
115.9284
115.928403
null
0
8
0
0
3
0
4
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
1
0
0
S,S,S-TRIBUTYLPHOSPHOROTRITHIOATE
000078-48-8
5,125
1-bis(butylsulfanyl)phosphorylsulfanylbutane
CCCCSP(=O)(SCCCC)SCCCC
InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3
ZOKXUAHZSKEQSS-UHFFFAOYSA-N
C12H27OPS3
314.5
314.096166
3.2
93
179
0
0
4
12
17
null
210 °C at 750 mm Hg
1
1
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
2-CYANOETHYL ESTER 2-PROPENOIC ACID
000106-71-8
7,825
2-cyanoethyl prop-2-enoate
C=CC(=O)OCCC#N
InChI=1S/C6H7NO2/c1-2-6(8)9-5-3-4-7/h2H,1,3,5H2
AEPWOCLBLLCOGZ-UHFFFAOYSA-N
C6H7NO2
125.13
125.047679
0.6
50.1
154
0
0
3
4
9
124 °C
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ACETONE SEMICARBAZONE
000110-20-3
66,965
(propan-2-ylideneamino)urea
CC(=NNC(=O)N)C
InChI=1S/C4H9N3O/c1-3(2)6-7-4(5)8/h1-2H3,(H3,5,7,8)
HQDAJGNZGNZGCO-UHFFFAOYSA-N
C4H9N3O
115.13
115.074562
-0.8
67.5
114
0
2
2
1
8
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1,3-DIMETHYL-2-THIOUREA
000534-13-4
2,723,631
1,3-dimethylthiourea
CNC(=S)NC
InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
VLCDUOXHFNUCKK-UHFFFAOYSA-N
C3H8N2S
104.18
104.040819
-0.2
56.2
46
0
2
1
0
6
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1,1-DIBROMOETHANE
000557-91-5
11,201
1,1-dibromoethane
CC(Br)Br
InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3
APQIUTYORBAGEZ-UHFFFAOYSA-N
C2H4Br2
187.86
187.86593
2.3
0
11
0
0
0
0
4
null
108.0 °C
0
1
1
1
0
1
0
1
0
0
0
0
0
0
0
0
1
0
0
1
4-CHLOROBUTANENITRILE
000628-20-6
12,336
4-chlorobutanenitrile
C(CC#N)CCl
InChI=1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2
ZFCFBWSVQWGOJJ-UHFFFAOYSA-N
C4H6ClN
103.55
103.018877
0.6
23.8
61
0
0
1
2
6
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ACETIC ACID, HYDRAZIDE
001068-57-1
14,039
acetohydrazide
CC(=O)NN
InChI=1S/C2H6N2O/c1-2(5)4-3/h3H2,1H3,(H,4,5)
OFLXLNCGODUUOT-UHFFFAOYSA-N
C2H6N2O
74.08
74.048013
-1.6
55.1
42
0
2
2
0
5
null
null
1
0
1
1
0
1
1
1
0
0
1
0
0
0
0
0
1
0
0
0
ETHYL DICHLOROPHOSPHATE
001498-51-7
15,158
1-dichlorophosphoryloxyethane
CCOP(=O)(Cl)Cl
InChI=1S/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3
YZBOZNXACBQJHI-UHFFFAOYSA-N
C2H5Cl2O2P
162.94
161.940422
1.4
26.3
87
0
0
2
2
7
null
333 °F at 760 mmHg (USCG, 1999)
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TETRAISOPROPYL METHYLENEDIPHOSPHONATE
001660-95-3
74,266
2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane
CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
InChI=1S/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3
ODTQUKVFOLFLIQ-UHFFFAOYSA-N
C13H30O6P2
344.32
344.151763
2
71.1
328
0
0
6
10
21
null
null
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
1
DECANEDINITRILE
001871-96-1
74,639
decanedinitrile
C(CCCCC#N)CCCC#N
InChI=1S/C10H16N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-8H2
DFJYZCUIKPGCSG-UHFFFAOYSA-N
C10H16N2
164.25
164.131349
1.8
47.6
157
0
0
2
7
12
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-BROMO-N,N,N-TRIMETHYLETHANAMINIUM BROMIDE
002758-06-7
17,689
2-bromoethyl(trimethyl)azanium bromide
C[N+](C)(C)CCBr.[Br-]
InChI=1S/C5H13BrN.BrH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
OINMNSFDYTYXEQ-UHFFFAOYSA-M
C5H13Br2N
246.97
246.93943
null
0
46
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
TRILITHIUM ARSENATE
013478-14-3
166,828
trilithium;arsorate
[Li+].[Li+].[Li+].[O-][As](=O)([O-])[O-]
InChI=1S/AsH3O4.3Li/c2-1(3,4)5;;;/h(H3,2,3,4,5);;;/q;3*+1/p-3
VKJKOXNPYVUXNC-UHFFFAOYSA-K
AsLi3O4
159.8
159.949263
null
86.3
36
0
0
4
0
8
null
null
1
0
1
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
SCANDIUM FLUORIDE
013709-47-2
83,678
trifluoroscandium
F[Sc](F)F
InChI=1S/3FH.Sc/h3*1H;/q;;;+3/p-3
OEKDNFRQVZLFBZ-UHFFFAOYSA-K
F3Sc
101.95112
101.951117
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
LITHIUM CHROMATE
014307-35-8
26,627
dilithium;dioxido(dioxo)chromium
[Li+].[Li+].[O-][Cr](=O)(=O)[O-]
InChI=1S/Cr.2Li.4O/q;2*+1;;;2*-1
JQVALDCWTQRVQE-UHFFFAOYSA-N
CrLi2O4
129.9
129.95217
null
80.3
62
0
0
4
0
7
null
null
1
1
1
1
0
1
1
0
0
0
1
0
0
1
1
0
0
1
1
0
CHLORO(TRIETHYLPHOSPHINE)GOLD
015529-90-5
3,032,639
gold(1+);triethylphosphane;chloride
CCP(CC)CC.[Cl-].[Au+]
InChI=1S/C6H15P.Au.ClH/c1-4-7(5-2)6-3;;/h4-6H2,1-3H3;;1H/q;+1;/p-1
SYBBXLKWGHAVHP-UHFFFAOYSA-M
C6H15AuClP
350.58
350.02656
null
0
25
0
0
1
3
9
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
TRICHLORO(2,4,4-TRIMETHYLPENTYL)SILANE
018379-25-4
86,714
trichloro(2,4,4-trimethylpentyl)silane
CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl
InChI=1S/C8H17Cl3Si/c1-7(5-8(2,3)4)6-12(9,10)11/h7H,5-6H2,1-4H3
XEPLIPFTDXHUHB-UHFFFAOYSA-N
C8H17Cl3Si
247.7
246.01651
null
0
134
0
0
0
3
12
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
4,4-DIMETHYL-3-OXOPENTANENITRILE
059997-51-2
108,871
4,4-dimethyl-3-oxopentanenitrile
CC(C)(C)C(=O)CC#N
InChI=1S/C7H11NO/c1-7(2,3)6(9)4-5-8/h4H2,1-3H3
MXZMACXOMZKYHJ-UHFFFAOYSA-N
C7H11NO
125.17
125.084064
1.2
40.9
155
0
0
2
2
9
null
null
0
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
2,2'-[1,2-ETHANEDIYLBIS(OXY)]BISETHANETHIOL
014970-87-7
84,733
2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
C(COCCS)OCCS
InChI=1S/C6H14O2S2/c9-5-3-7-1-2-8-4-6-10/h9-10H,1-6H2
HCZMHWVFVZAHCR-UHFFFAOYSA-N
C6H14O2S2
182.3
182.043522
0.5
20.5
53
0
2
4
7
10
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATE)BARIUM(II)
017594-47-7
6,916,886
barium(2+);bis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate)
CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Ba+2]
InChI=1S/2C11H20O2.Ba/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7-;
NYBMVAOYALBBBH-ATMONBRVSA-L
C22H38BaO4
503.9
504.182257
null
80.3
199
0
0
4
6
27
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
3,3',3"-NITRILOTRISPROPANENITRILE
007528-78-1
82,028
3-[bis(2-cyanoethyl)amino]propanenitrile
C(CN(CCC#N)CCC#N)C#N
InChI=1S/C9H12N4/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2
FYYPYNRGACGNNN-UHFFFAOYSA-N
C9H12N4
176.22
176.106196
-0.7
74.6
220
0
0
4
6
13
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PENTACARBONYLCHLORORHENIUM
014099-01-5
6,096,982
carbon monoxide;chlororhenium
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].Cl[Re]
InChI=1S/5CO.ClH.Re/c5*1-2;;/h;;;;;1H;/q;;;;;;+1/p-1
JQUUAHKBIXPQAP-UHFFFAOYSA-M
C5ClO5Re
361.71
361.899178
null
5
12
0
0
5
0
12
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
ZINC SELENATE
013597-54-1
9,813,131
zinc selenate
[O-][Se](=O)(=O)[O-].[Zn+2]
InChI=1S/H2O4Se.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2
GQLBMRKEAODAKR-UHFFFAOYSA-L
O4SeZn
208.3
207.82532
null
80.3
62
0
0
4
0
6
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
CACODYLIC ACID-D7
093954-09-7
131,887,990
trideuterio-[deuteriooxy(trideuteriomethyl)arsoryl]methane
[2H]C([2H])([2H])[As](=O)(C([2H])([2H])[2H])O[2H]
InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/i1D3,2D3/hD
OGGXGZAMXPVRFZ-KBKLHOFPSA-N
C2H7AsO2
145.04
145.010136
null
37.3
62
0
1
2
0
5
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
5-CHLOROVALERONITRILE
006280-87-1
80,474
5-chloropentanenitrile
C(CCCl)CC#N
InChI=1S/C5H8ClN/c6-4-2-1-3-5-7/h1-4H2
JSAWFGSXRPCFSW-UHFFFAOYSA-N
C5H8ClN
117.58
117.034527
1.2
23.8
71
0
0
1
3
7
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ALLYLTRIBUTYLSTANNANE
024850-33-7
90,628
tributyl(prop-2-enyl)stannane
CCCC[Sn](CCCC)(CCCC)CC=C
InChI=1S/3C4H9.C3H5.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;3H,1-2H2;
YLGRTLMDMVAFNI-UHFFFAOYSA-N
C15H32Sn
331.12
332.152604
null
0
141
0
0
0
11
16
null
null
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
0
(S)-(-)-2-ACETOXYPROPIONIC ACID
006034-46-4
6,326,324
(2S)-2-acetyloxypropanoic acid
C[C@@H](C(=O)O)OC(=O)C
InChI=1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m0/s1
WTLNOANVTIKPEE-VKHMYHEASA-N
C5H8O4
132.11
132.042259
0.1
63.6
129
0
1
4
3
9
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
3-HYDROXYGLUTARONITRILE
013880-89-2
361,762
3-hydroxypentanedinitrile
C(C#N)C(CC#N)O
InChI=1S/C5H6N2O/c6-3-1-5(8)2-4-7/h5,8H,1-2H2
NMFITULDMUZCQD-UHFFFAOYSA-N
C5H6N2O
110.11
110.048013
-1
67.8
128
0
1
3
2
8
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
DIETHYLENE GLYCOL BIS(2-CHLOROETHYL) ETHER
000638-56-2
61,187
1-(2-chloroethoxy)-2-[2-(2-chloroethoxy)ethoxy]ethane
C(COCCCl)OCCOCCCl
InChI=1S/C8H16Cl2O3/c9-1-3-11-5-7-13-8-6-12-4-2-10/h1-8H2
ZCFRYTWBXNQVOW-UHFFFAOYSA-N
C8H16Cl2O3
231.11
230.04765
1
27.7
83
0
0
3
10
13
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
ARSENIC(V) SULFIDE
001303-34-0
3,371,533
[bis(sulfanylidene)-lambda5-arsanyl]sulfanyl-bis(sulfanylidene)-lambda5-arsane
S=[As](=S)S[As](=S)=S
InChI=1S/As2S5/c3-1(4)7-2(5)6
AYRZLUSHOXJGKY-UHFFFAOYSA-N
As2S5
310.2
309.70354
null
154
123
0
0
5
0
7
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1,2-DIBROMOETHANE-D4
022581-63-1
123,404
1,2-dibromo-1,1,2,2-tetradeuterioethane
[2H]C([2H])(C([2H])([2H])Br)Br
InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2/i1D2,2D2
PAAZPARNPHGIKF-LNLMKGTHSA-N
C2H4Br2
191.89
191.89103
2
0
6
0
0
0
1
4
null
null
0
1
1
1
0
1
1
1
0
0
0
0
0
0
0
0
1
0
0
1
TRIS(2-CYANOETHYL)PHOSPHINE
004023-53-4
77,639
3-[bis(2-cyanoethyl)phosphanyl]propanenitrile
C(CP(CCC#N)CCC#N)C#N
InChI=1S/C9H12N3P/c10-4-1-7-13(8-2-5-11)9-3-6-12/h1-3,7-9H2
CHZAMJVESILJGH-UHFFFAOYSA-N
C9H12N3P
193.19
193.076884
-1
71.4
223
0
0
3
6
13
null
null
0
1
1
1
0
1
0
1
0
0
0
0
0
0
0
0
1
0
0
1
IODOTRIBUTYLSTANNANE
007342-47-4
23,765
tributyl(iodo)stannane
CCCC[Sn](CCCC)(CCCC)I
InChI=1S/3C4H9.HI.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
YHHVXVNXTMIXOL-UHFFFAOYSA-M
C12H27ISn
416.96
418.01795
null
0
104
0
0
0
9
14
null
null
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
0
TRANS-1,2-BIS(TRIBUTYLSTANNYL)ETHENE
014275-61-7
5,378,370
tributyl-[(E)-2-tributylstannylethenyl]stannane
CCCC[Sn](CCCC)(CCCC)/C=C/[Sn](CCCC)(CCCC)CCCC
InChI=1S/6C4H9.C2H2.2Sn/c6*1-3-4-2;1-2;;/h6*1,3-4H2,2H3;1-2H;;
VNKOWRBFAJTPLS-UHFFFAOYSA-N
C26H56Sn2
606.1
606.24201
null
0
284
0
0
0
20
28
null
null
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
0
(S)-DICHLORO(2-(((2,3-DIHYDROXYPROPOXY)HYDROXYPHOSPHINYL)OXY)TRIETHYLMETHYLAMMONIUMATO)CADMIUM
064681-08-9
11,305,256
dichlorocadmium;2,3-dihydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate
C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O.Cl[Cd]Cl
InChI=1S/C8H20NO6P.Cd.2ClH/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10;;;/h8,10-11H,4-7H2,1-3H3;;2*1H/q;+2;;/p-2
RCOWLNSSDOITMP-UHFFFAOYSA-L
C8H20CdCl2NO6P
440.54
440.943895
null
99.1
236
0
2
6
8
19
null
null
1
1
1
1
0
1
1
0
0
0
1
0
0
1
0
0
0
0
1
0
SODIUM HEXAFLUOROARSENATE
012005-86-6
14,205,726
sodium hexafluoroarsenic(1-)
F[As-](F)(F)(F)(F)F.[Na+]
InChI=1S/AsF6.Na/c2-1(3,4,5,6)7;/q-1;+1
NFXMAZFYHDSPPB-UHFFFAOYSA-N
AsF6Na
211.90178
211.901783
null
0
62
0
0
7
0
8
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
DIETHYL VINYLPHOSPHATE
000682-30-4
69,629
1-[ethenyl(ethoxy)phosphoryl]oxyethane
CCOP(=O)(C=C)OCC
InChI=1S/C6H13O3P/c1-4-8-10(7,6-3)9-5-2/h6H,3-5H2,1-2H3
DREPONDJUKIQLX-UHFFFAOYSA-N
C6H13O3P
164.14
164.060231
0.7
35.5
134
0
0
3
5
10
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
PERFLUORONONANOYL CHLORIDE
052447-23-1
2,776,252
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl chloride
C(=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)Cl
InChI=1S/C9ClF17O/c10-1(28)2(11,12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)27
MPWXHQITWLFMQM-UHFFFAOYSA-N
C9ClF17O
482.52
481.936621
6.6
17.1
617
0
0
18
7
28
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
DIMETHYLMALONONITRILE
007321-55-3
23,742
2,2-dimethylpropanedinitrile
CC(C)(C#N)C#N
InChI=1S/C5H6N2/c1-5(2,3-6)4-7/h1-2H3
BCMJJXWXMZYZKN-UHFFFAOYSA-N
C5H6N2
94.11
94.053098
0.8
47.6
131
0
0
2
0
7
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
NICKEL CHLORIDE HYDRATE
069098-15-3
16,212,333
dichloronickel;hydrate
O.Cl[Ni]Cl
InChI=1S/2ClH.Ni.H2O/h2*1H;;1H2/q;;+2;/p-2
HGGYAQHDNDUIIQ-UHFFFAOYSA-L
Cl2H2NiO
147.61
145.883612
null
1
2
0
1
1
0
4
null
null
1
0
1
1
0
1
1
0
0
0
1
0
0
1
1
0
1
1
1
0
BUTYLTRIMETHYLAMMONIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
258273-75-5
12,991,988
bis(trifluoromethylsulfonyl)azanide;butyl(trimethyl)azanium
CCCC[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI=1S/C7H18N.C2F6NO4S2/c1-5-6-7-8(2,3)4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-7H2,1-4H3;/q+1;-1
XSGKJXQWZSFJEJ-UHFFFAOYSA-N
C9H18F6N2O4S2
396.4
396.061218
null
86
426
0
0
11
5
23
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TETRAMETHYLAMMONIUM HEXAFLUOROPHOSPHATE
000558-32-7
11,209
tetramethylazanium hexafluorophosphate
C[N+](C)(C)C.F[P-](F)(F)(F)(F)F
InChI=1S/C4H12N.F6P/c1-5(2,3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1
ZFKULDQWLXAKIM-UHFFFAOYSA-N
C4H12F6NP
219.11
219.061155
null
0
81
0
0
7
0
12
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
METHANETRICARBONITRILE, ION(1-), SODIUM
036603-80-2
24,840,070
sodium methanetricarbonitrile
C(#N)[C-](C#N)C#N.[Na+]
InChI=1S/C4N3.Na/c5-1-4(2-6)3-7;/q-1;+1
LOYHZHALCDOXIK-UHFFFAOYSA-N
C4N3Na
113.05
112.998991
null
71.4
155
0
0
4
0
8
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0