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
(T-4)TETRAKIS(CYANO-KAPPAC)CUPRATE(3-) TRIPOTASSIUM
014263-73-1
161,044
tripotassium;copper(1+);tetracyanide
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[Cu+]
InChI=1S/4CN.Cu.3K/c4*1-2;;;;/q4*-1;4*+1
KJQBKXNMRVPFNY-UHFFFAOYSA-N
C4CuK3N4
284.91
283.833013
null
95.2
10
0
0
8
0
12
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
CADMATE(2-), TETRAKIS(CYANO-C)-, DIPOTASSIUM, (T-4)-
014402-75-6
49,868,028
dipotassium;cadmium(2+);tetracyanide
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[Cd+2]
InChI=1S/4CN.Cd.2K/c4*1-2;;;/q4*-1;+2;2*+1
AMFARPFBUUDQLJ-UHFFFAOYSA-N
C4CdK2N4
294.68
295.843074
null
95.2
10
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
MERCURY BROMIDE (HG2BR2)
015385-58-7
24,829
bromomercury
Br[Hg].Br[Hg]
InChI=1S/2BrH.2Hg/h2*1H;;/q;;2*+1/p-2
RVARJMCTILSHND-UHFFFAOYSA-L
Br2Hg2
560.99
561.7736
null
0
4
0
0
0
0
4
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
(T-4)-TETRAKIS(THIOCYANATO-N)-MERCURY(2+) (1:1)COBALTATE(2-)
027685-51-4
161,577
cobalt(2+);mercury(2+);tetrathiocyanate
C(#N)[S-].C(#N)[S-].C(#N)[S-].C(#N)[S-].[Co+2].[Hg+2]
InChI=1S/4CHNS.Co.Hg/c4*2-1-3;;/h4*3H;;/q;;;;2*+2/p-4
CKGHPFRRZBSWMC-UHFFFAOYSA-J
C4CoHgN4S4
491.9
492.804418
null
99.2
31
0
0
8
0
14
null
null
1
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
1
TETRAETHYL LEAD
000078-00-2
6,511
tetraethylplumbane
CC[Pb](CC)(CC)CC
InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;
MRMOZBOQVYRSEM-UHFFFAOYSA-N
C8H20Pb
323
324.13315
null
0
47
0
0
0
4
9
200 °F (EPA, 1998)
392 °F at 760 mmHg Decomposes between 230 - 392 °F. (EPA, 1998)
1
1
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
MERCURY CYANIDE
000592-04-1
11,591
dicyanomercury
C(#N)[Hg]C#N
InChI=1S/2CN.Hg/c2*1-2;
FQGYCXFLEQVDJQ-UHFFFAOYSA-N
C2HgN2
252.63
253.976792
null
47.6
85
0
0
2
0
5
null
Decomposes
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
Succinonitrile, tetramethyl-
003333-52-6
18,745
2,2,3,3-tetramethylbutanedinitrile
CC(C)(C#N)C(C)(C)C#N
InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3
ZVQXQPNJHRNGID-UHFFFAOYSA-N
C8H12N2
136.19
136.100048
1.5
47.6
192
0
0
2
1
10
null
Sublimes (NIOSH, 2024)
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
1
MERCURIC SULFATE
007783-35-9
24,544
mercury(2+) sulfate
[O-]S(=O)(=O)[O-].[Hg+2]
InChI=1S/Hg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
DOBUSJIVSSJEDA-UHFFFAOYSA-L
HgO4S
296.66
297.922373
null
88.6
62
0
0
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
CUPROUS CYANIDE
000544-92-3
11,009
copper(1+) cyanide
[C-]#N.[Cu+]
InChI=1S/CN.Cu/c1-2;/q-1;+1
DOBRDRYODQBAMW-UHFFFAOYSA-N
CCuN
89.56
88.932671
null
23.8
12
0
0
2
0
3
null
Decomposes
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
SODIUM ARSENITE
007784-46-5
443,495
sodium oxoarsinite
[O-][As]=O.[Na+]
InChI=1S/AsHO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
PTLRDCMBXHILCL-UHFFFAOYSA-M
AsNaO2
129.91
129.901193
null
40.1
13
0
0
2
0
4
null
null
1
1
1
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
VINYL SULFONE
000077-77-0
6,496
1-ethenylsulfonylethene
C=CS(=O)(=O)C=C
InChI=1S/C4H6O2S/c1-3-7(5,6)4-2/h3-4H,1-2H2
AFOSIXZFDONLBT-UHFFFAOYSA-N
C4H6O2S
118.16
118.008851
0.6
42.5
145
0
0
2
2
7
217 °F (NTP, 1992)
453 °F at 760 mmHg (NTP, 1992)
0
1
0
1
0
0
0
1
0
0
1
0
0
0
0
0
1
0
0
1
TETRAMETHYLAMMONIUM HYDROXIDE
000075-59-2
60,966
tetramethylazanium hydroxide
C[N+](C)(C)C.[OH-]
InChI=1S/C4H12N.H2O/c1-5(2,3)4;/h1-4H3;1H2/q+1;/p-1
WGTYBPLFGIVFAS-UHFFFAOYSA-M
C4H13NO
91.15
91.099714
null
1
19
0
1
1
0
6
null
null
0
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
1
CIS-PLATIN
015663-27-1
5,460,033
azane;dichloroplatinum
N.N.Cl[Pt]Cl
InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2
LXZZYRPGZAFOLE-UHFFFAOYSA-L
Cl2H6N2Pt
300.05
298.955598
null
2
7
0
2
2
0
5
null
null
0
1
0
1
0
1
0
1
0
0
1
0
0
1
1
0
1
1
0
1
URANIUM DIOXIDE
001344-57-6
51,003,830
bis(oxygen(2-));uranium(4+)
[O-2].[O-2].[U+4]
InChI=1S/2O.U/q2*-2;+4
OOAWCECZEHPMBX-UHFFFAOYSA-N
O2U
270.028
270.04062
null
2
0
0
0
2
0
3
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
URANIUM TRIOXIDE
001344-58-7
74,013
trioxouranium
O=[U](=O)=O
InChI=1S/3O.U
JCMLRUNDSXARRW-UHFFFAOYSA-N
O3U
286.027
286.03553
null
51.2
61
0
0
3
0
4
null
null
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
URANYL NITRATE
010102-06-4
92,043,144
dioxouranium(2+) dinitrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O=[U+2]=O
InChI=1S/2NO3.2O.U/c2*2-1(3)4;;;/q2*-1;;;+2
ZYEWBKAZYICUMJ-UHFFFAOYSA-N
N2O8U
394.04
394.01625
null
160
37
0
0
8
0
11
null
null
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
SELENIOUS ACID, MONOSODIUM SALT
007782-82-3
23,669,629
sodium hydrogen selenite
O[Se](=O)[O-].[Na+]
InChI=1S/Na.H2O3Se/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1
OHYAUPVXSYITQV-UHFFFAOYSA-M
HNaO3Se
150.97
151.89886
null
60.4
33
0
1
3
0
5
null
null
1
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
1
0
THALLIUM CHLORIDE (TLCL3)
013453-32-2
83,482
trichlorothallane
Cl[Tl](Cl)Cl
InChI=1S/3ClH.Tl/h3*1H;/q;;;+3/p-3
KTZHUTMWYRHVJB-UHFFFAOYSA-K
Cl3Tl
310.74
309.88099
null
0
8
0
0
0
0
4
null
null
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
BUTANENITRILE, 2-HYDROXY-4-(METHYLTHIO)-
017773-41-0
87,302
2-hydroxy-4-methylsulfanylbutanenitrile
CSCCC(C#N)O
InChI=1S/C5H9NOS/c1-8-3-2-5(7)4-6/h5,7H,2-3H2,1H3
VWWOJJANXYSACS-UHFFFAOYSA-N
C5H9NOS
131.2
131.040485
0.4
69.3
95
0
1
3
3
8
null
null
1
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
SODIUM SELENATE
013410-01-0
25,960
disodium;selenate
[O-][Se](=O)(=O)[O-].[Na+].[Na+]
InChI=1S/2Na.H2O4Se/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2
MHQOTKLEMKRJIR-UHFFFAOYSA-L
Na2O4Se
188.95
189.87572
null
80.3
62
0
0
4
0
7
null
Decomposes (NTP, 1992)
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
1
0
1
0
DIMETHYLMERCURY
000593-74-8
11,645
dimethylmercury
C[Hg]C
InChI=1S/2CH3.Hg/h2*1H3;
ATZBPOVXVPIOMR-UHFFFAOYSA-N
C2H6Hg
230.66
232.017594
null
0
2
0
0
0
0
3
5 °C
92 °C
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
DIETHYL MERCURY
000627-44-1
12,318
diethylmercury
CC[Hg]CC
InChI=1S/2C2H5.Hg/c2*1-2;/h2*1H2,2H3;
SPIUPAOJDZNUJH-UHFFFAOYSA-N
C4H10Hg
258.71
260.048894
null
0
11
0
0
0
0
5
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
2-CHLOROETHANOL
000107-07-3
34
2-chloroethanol
C(CCl)O
InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2
SZIFAVKTNFCBPC-UHFFFAOYSA-N
C2H5ClO
80.51
80.002893
-0.1
20.2
10
0
1
1
1
4
140 °F (EPA, 1998)
262 °F at 760 mmHg (EPA, 1998)
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
DEMETON
008065-48-3
24,722
diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC
InChI=1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3
FAXIJTUDSBIMHY-UHFFFAOYSA-N
C16H38O6P2S4
516.7
516.102648
null
171
336
0
0
10
18
28
113 °F solution in combustible solvent (EPA, 1998)
273 °F at 2 mmHg (EPA, 1998)
1
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
DICHLOROETHYL ETHER
000111-44-4
8,115
1-chloro-2-(2-chloroethoxy)ethane
C(CCl)OCCCl
InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2
ZNSMNVMLTJELDZ-UHFFFAOYSA-N
C4H8Cl2O
143.01
141.99522
1.3
9.2
28
0
0
1
4
7
131 °F (EPA, 1998)
352 °F at 760 mmHg (EPA, 1998)
0
1
1
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
3-CHLOROPROPIONITRILE
000542-76-7
10,963
3-chloropropanenitrile
C(CCl)C#N
InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2
GNHMRTZZNHZDDM-UHFFFAOYSA-N
C3H4ClN
89.52
89.003227
0.2
23.8
51
0
0
1
1
5
168 °F (EPA, 1998)
347 to 349 °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
0
BIS(2-CHLOROISOPROPYL)ETHER
000108-60-1
7,944
1-chloro-2-(1-chloropropan-2-yloxy)propane
CC(CCl)OC(C)CCl
InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3
QCFYJCYNJLBDRT-UHFFFAOYSA-N
C6H12Cl2O
171.06
170.02652
2.1
9.2
60
0
0
1
4
9
185 °F (NTP, 1992)
369.3 °F at 760 mmHg (NTP, 1992)
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-PROPENYLIDENE DIACETATE
000869-29-4
61,226
1-acetyloxyprop-2-enyl acetate
CC(=O)OC(C=C)OC(=O)C
InChI=1S/C7H10O4/c1-4-7(10-5(2)8)11-6(3)9/h4,7H,1H2,2-3H3
TXECTBGVEUDNSL-UHFFFAOYSA-N
C7H10O4
158.15
158.057909
0.8
52.6
157
0
0
4
5
11
null
null
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
FORMALDEHYDE CYANOHYDRIN
000107-16-4
7,857
2-hydroxyacetonitrile
C(C#N)O
InChI=1S/C2H3NO/c3-1-2-4/h4H,2H2
LTYRAPJYLUPLCI-UHFFFAOYSA-N
C2H3NO
57.05
57.021464
-0.7
44
41
0
1
2
0
4
greater than 200 °F (NTP, 1992)
361 °F at 760 mmHg with slight decomposition (EPA, 1998)
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
HYDROFLUORIC ACID SOLUTIONS (>/=48.3%)
007664-39-3
14,917
fluorane
F
InChI=1S/FH/h1H
KRHYYFGTRYWZRS-UHFFFAOYSA-N
FH
20.0064
20.006228
0.6
0
0
0
1
1
0
1
Not Flammable (EPA, 1998)
152 °F at 760 mmHg for 70% solution (ICSC, 2024)
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
BORON TRICHLORIDE
010294-34-5
25,135
trichloroborane
B(Cl)(Cl)Cl
InChI=1S/BCl3/c2-1(3)4
FAQYAMRNWDIXMY-UHFFFAOYSA-N
BCl3
117.2
115.915863
null
0
8
0
0
0
0
4
null
54.5 °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
PHOSPHORUS TRICHLORIDE
007719-12-2
24,387
trichlorophosphane
P(Cl)(Cl)Cl
InChI=1S/Cl3P/c1-4(2)3
FAIAAWCVCHQXDN-UHFFFAOYSA-N
Cl3P
137.33
135.88032
2.3
0
8
0
0
0
0
4
null
169 °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
SODIUM AZIDE
026628-22-8
33,557
sodium azide
[N-]=[N+]=[N-].[Na+]
InChI=1S/N3.Na/c1-3-2;/q-1;+1
PXIPVTKHYLBLMZ-UHFFFAOYSA-N
N3Na
65.01
64.998991
null
3
15
0
0
2
0
4
Not flammable (EPA, 1998)
Decomposes in vacuum (EPA, 1998)
1
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
PHORATE
000298-02-2
4,790
diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
CCOP(=S)(OCC)SCSCC
InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
BULVZWIRKLYCBC-UHFFFAOYSA-N
C7H17O2PS3
260.4
260.01283
3.6
101
156
0
0
5
8
13
320 °F (NIOSH, 2024)
257 to 261 °F at 2 mmHg (EPA, 1998)
1
1
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
ALDICARB
000116-06-3
9,570,071
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methylcarbamate
CC(C)(/C=N/OC(=O)NC)SC
InChI=1S/C7H14N2O2S/c1-7(2,12-4)5-9-11-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+
QGLZXHRNAYXIBU-WEVVVXLNSA-N
C7H14N2O2S
190.27
190.077599
1.1
76
180
0
1
4
4
12
null
Decomposes (NTP, 1992)
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
ACETONE CYANOHYDRIN
000075-86-5
6,406
2-hydroxy-2-methylpropanenitrile
CC(C)(C#N)O
InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
MWFMGBPGAXYFAR-UHFFFAOYSA-N
C4H7NO
85.1
85.052764
-0.1
44
87
0
1
2
0
6
165 °F (EPA, 1998)
180 °F at 23 mmHg (EPA, 1998)
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
MEVINPHOS
007786-34-7
9,560
methyl 3-dimethoxyphosphoryloxybut-2-enoate
CC(=CC(=O)OC)OP(=O)(OC)OC
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3
GEPDYQSQVLXLEU-UHFFFAOYSA-N
C7H13O6P
224.15
224.044975
1.2
71.1
263
0
0
6
6
14
175 °F (EPA, 1998)
223 to 226 °F at 1 mmHg (EPA, 1998)
1
1
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
MERCURIC CHLORIDE
007487-94-7
24,085
dichloromercury
Cl[Hg]Cl
InChI=1S/2ClH.Hg/h2*1H;/q;;+2/p-2
LWJROJCJINYWOX-UHFFFAOYSA-L
Cl2Hg
271.5
271.908349
null
0
2
0
0
0
0
3
null
576 °F at 760 mmHg (EPA, 1998)
1
0
0
1
0
0
1
0
0
0
1
0
0
1
0
0
1
0
1
0
DICROTOPHOS
000141-66-2
5,371,560
[(E)-4-(dimethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
C/C(=C\C(=O)N(C)C)/OP(=O)(OC)OC
InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+
VEENJGZXVHKXNB-VOTSOKGWSA-N
C8H16NO5P
237.19
237.07661
0
65.1
291
0
0
5
5
15
Above 175F (EPA, 1998)
752 °F at 760 mmHg (EPA, 1998)
1
1
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
OXAMYL
023135-22-0
31,657
methyl 2-(dimethylamino)-N-(methylcarbamoyloxy)-2-oxoethanimidothioate
CNC(=O)ON=C(C(=O)N(C)C)SC
InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)
KZAUOCCYDRDERY-UHFFFAOYSA-N
C7H13N3O3S
219.26
219.067763
-0.5
96.3
253
0
1
5
4
14
null
Decomposes on distillation
0
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
SODIUM SELENITE
010102-18-8
24,934
disodium;selenite
[O-][Se](=O)[O-].[Na+].[Na+]
InChI=1S/2Na.H2O3Se/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2
BVTBRVFYZUCAKH-UHFFFAOYSA-L
Na2O3Se
172.95
173.8808
null
63.2
18
0
0
3
0
6
null
Decomposes (NTP, 1992)
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
1
0
0
TETRAMETHYLAMMONIUM CHLORIDE
000075-57-0
6,379
tetramethylazanium chloride
C[N+](C)(C)C.[Cl-]
InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1
OKIZCWYLBDKLSU-UHFFFAOYSA-M
C4H12ClN
109.6
109.065827
null
0
19
0
0
1
0
6
null
null
0
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
OSMIUM TETROXIDE
020816-12-0
30,318
tetraoxoosmium
O=[Os](=O)(=O)=O
InChI=1S/4O.Os
VUVGYHUDAICLFK-UHFFFAOYSA-N
O4Os
254.2
255.94114
null
68.3
138
0
0
4
0
5
null
266 °F at 760 mmHg (NIOSH, 2024)
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
BUSULFAN
000055-98-1
2,478
4-methylsulfonyloxybutyl methanesulfonate
CS(=O)(=O)OCCCCOS(=O)(=O)C
InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3
COVZYZSDYWQREU-UHFFFAOYSA-N
C6H14O6S2
246.3
246.023181
-0.5
104
293
0
0
6
7
14
null
null
0
1
1
1
0
1
0
1
0
0
1
0
0
1
0
0
1
0
1
1
MERCUROUS NITRATE
010415-75-5
25,247
mercury(1+) nitrate
[N+](=O)([O-])[O-].[Hg+]
InChI=1S/Hg.NO3/c;2-1(3)4/q+1;-1
DRXYRSRECMWYAV-UHFFFAOYSA-N
HgNO3
262.6
263.958461
null
62.9
18
0
0
3
0
5
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
HYDRAZINE, DIHYDROBROMIDE
023268-00-0
168,095
hydrazine;dihydrobromide
NN.Br.Br
InChI=1S/2BrH.H4N2/c;;1-2/h2*1H;1-2H2
MEBDASBFCISMGU-UHFFFAOYSA-N
Br2H6N2
193.87
193.88772
null
52
0
0
4
2
0
4
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
BORON TRIBROMIDE
010294-33-4
25,134
tribromoborane
B(Br)(Br)Br
InChI=1S/BBr3/c2-1(3)4
ILAHWRKJUDSMFH-UHFFFAOYSA-N
BBr3
250.53
249.76227
null
0
8
0
0
0
0
4
null
196 °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
MERCURY(II) OXIDE
021908-53-2
30,856
oxomercury
O=[Hg]
InChI=1S/Hg.O
UKWHYYKOEPRTIC-UHFFFAOYSA-N
HgO
216.59
217.965558
null
17.1
2
0
0
1
0
2
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
CALCIUM CYANIDE
000592-01-8
6,093,192
calcium dicyanide
[C-]#N.[C-]#N.[Ca+2]
InChI=1S/2CN.Ca/c2*1-2;/q2*-1;+2
ZQULWKDLLXZZSP-UHFFFAOYSA-N
C2CaN2
92.11
91.968739
null
47.6
10
0
0
4
0
5
null
null
1
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
CUPRATE(1-), BIS(CYANO-C)-, POTASSIUM
013682-73-0
61,666
potassium;copper(1+);dicyanide
[C-]#N.[C-]#N.[K+].[Cu+]
InChI=1S/2CN.Cu.K/c2*1-2;;/q2*-1;2*+1
IVDPWEKOUUEEBD-UHFFFAOYSA-N
C2CuKN2
154.68
153.899452
null
47.6
31
0
0
4
0
6
null
null
1
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
CUPRATE(2-), TRIS(CYANO-C)-, DISODIUM
014264-31-4
61,722
disodium;copper(1+);tricyanide
[C-]#N.[C-]#N.[C-]#N.[Na+].[Na+].[Cu+]
InChI=1S/3CN.Cu.2Na/c3*1-2;;;/q3*-1;3*+1
JXWXJWOMXJKLOG-UHFFFAOYSA-N
C3CuN3Na2
187.58
186.918358
null
71.4
53
0
0
6
0
9
null
null
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
0
1
1
1
ARSENIC TRICHLORIDE
007784-34-1
24,570
trichloroarsane
Cl[As](Cl)Cl
InChI=1S/AsCl3/c2-1(3)4
OEYOHULQRFXULB-UHFFFAOYSA-N
AsCl3
181.28
179.828153
null
0
8
0
0
0
0
4
null
266.4 °F at 760 mmHg (USCG, 1999)
1
1
1
1
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
0
THALLIUM METAL (ROD, GRANULES)
007440-28-0
5,359,464
thallium
[Tl]
InChI=1S/Tl
BKVIYDNLLOSFOA-UHFFFAOYSA-N
Tl
204.383
204.97443
null
0
0
0
0
0
0
1
420 °F
1473 °C
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
ARSENIC TRIOXIDE
001327-53-3
14,888
bis(arsenic(3+));tris(oxygen(2-))
[O-2].[O-2].[O-2].[As+3].[As+3]
InChI=1S/2As.3O/q2*+3;3*-2
QTLQKAJBUDWPIB-UHFFFAOYSA-N
As2O3
197.841
197.82793
null
3
0
0
0
3
0
5
null
869 °F at 760 mmHg (EPA, 1998)
1
0
0
1
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
0
THALLIUM SULFATE
007446-18-6
24,833
bis(thallium(1+));sulfate
[O-]S(=O)(=O)[O-].[Tl+].[Tl+]
InChI=1S/H2O4S.2Tl/c1-5(2,3)4;;/h(H2,1,2,3,4);;/q;2*+1/p-2
YTQVHRVITVLIRD-UHFFFAOYSA-L
O4STl2
504.83
505.90058
null
88.6
62
0
0
4
0
7
null
Decomposes (EPA, 1998)
0
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
1
0
1
0
THALLIUM(I) ACETATE
000563-68-8
11,247
thallium(1+) acetate
CC(=O)[O-].[Tl+]
InChI=1S/C2H4O2.Tl/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
HQOJMTATBXYHNR-UHFFFAOYSA-M
C2H3O2Tl
263.43
263.98773
null
40.1
25
0
0
2
0
5
null
null
0
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
THIOSEMICARBAZIDE
000079-19-6
2,723,789
aminothiourea
C(=S)(N)NN
InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)
BRWIZMBXBAOCCF-UHFFFAOYSA-N
CH5N3S
91.14
91.020418
-1.2
96.2
42
0
3
2
0
5
null
null
0
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
SODIUM FLUOROACETATE
000062-74-8
16,212,360
sodium 2-fluoroacetate
C(C(=O)[O-])F.[Na+]
InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
JGFYQVQAXANWJU-UHFFFAOYSA-M
C2H2FNaO2
100.02
99.993652
null
40.1
46
0
0
3
1
6
null
Decomposes (NIOSH, 2024)
1
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
ETHYLENE CHLOROBROMIDE
000107-04-0
7,849
1-bromo-2-chloroethane
C(CBr)Cl
InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2
IBYHHJPAARCAIE-UHFFFAOYSA-N
C2H4BrCl
143.41
141.91849
1.6
0
10
0
0
0
1
4
none
225 °F at 760 mmHg (NTP, 1992)
0
1
1
1
0
1
0
1
0
0
0
0
0
0
0
0
1
0
0
1
AMMONIUM VANADATE
007803-55-6
516,859
azanium oxido(dioxo)vanadium
[NH4+].[O-][V](=O)=O
InChI=1S/H3N.3O.V/h1H3;;;;/q;;;-1;/p+1
UNTBPXHCXVWYOI-UHFFFAOYSA-O
H4NO3V
116.978
116.963076
null
58.2
36
0
1
3
0
5
null
>350 °C
0
0
1
1
0
0
1
1
0
0
1
0
0
1
0
0
1
0
1
1
ACRYLAMIDE
000079-06-1
6,579
prop-2-enamide
C=CC(=O)N
InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
HRPVXLWXLXDGHG-UHFFFAOYSA-N
C3H5NO
71.08
71.037114
-0.7
43.1
57
0
1
1
1
5
280.4 °F (EPA, 1998)
189 °F at 2 mmHg (EPA, 1998)
0
1
1
1
0
1
0
1
0
0
1
0
0
1
0
0
1
1
1
0
SODIUM FLUORIDE
007681-49-4
5,235
sodium fluoride
[F-].[Na+]
InChI=1S/FH.Na/h1H;/q;+1/p-1
PUZPDOWCWNUUKD-UHFFFAOYSA-M
FNa
41.988172
41.988172
null
0
2
0
0
1
0
2
null
3083 °F at 760 mmHg (NTP, 1992)
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
IODOACETIC ACID
000064-69-7
5,240
2-iodoacetic acid
C(C(=O)O)I
InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
JDNTWHVOXJZDSN-UHFFFAOYSA-N
C2H3IO2
185.95
185.91778
0.5
37.3
42
0
1
2
1
5
null
Decomposes (NTP, 1992)
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CADMIUM IODIDE
007790-80-9
24,635
cadmium(2+) diiodide
[Cd+2].[I-].[I-]
InChI=1S/Cd.2HI/h;2*1H/q+2;;/p-2
OKIIEJOIXGHUKX-UHFFFAOYSA-L
CdI2
366.22
367.71231
null
0
0
0
0
2
0
3
null
null
1
0
1
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
1
0
N-NITROSO-N-ETHYLUREA
000759-73-9
12,967
1-ethyl-1-nitrosourea
CCN(C(=O)N)N=O
InChI=1S/C3H7N3O2/c1-2-6(5-8)3(4)7/h2H2,1H3,(H2,4,7)
FUSGACRLAFQQRL-UHFFFAOYSA-N
C3H7N3O2
117.11
117.053827
0.2
75.8
103
0
1
3
1
8
null
null
0
1
1
1
0
1
0
0
0
0
0
0
0
1
0
0
0
0
0
0
N-NITROSODIETHYLAMINE
000055-18-5
5,921
N,N-diethylnitrous amide
CCN(CC)N=O
InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3
WBNQDOYYEUMPFS-UHFFFAOYSA-N
C4H10N2O
102.14
102.079313
0.5
32.7
51
0
0
3
2
7
145 °F (NTP, 1992)
351 °F at 760 mmHg (NTP, 1992)
0
0
0
1
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
0
THORIUM DIOXIDE
001314-20-1
14,808
dioxothorium
O=[Th]=O
InChI=1S/2O.Th
ZCUFMDLYAMJYST-UHFFFAOYSA-N
O2Th
264.036
264.02788
null
34.1
18
0
0
2
0
3
null
4400 °C
0
1
1
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
1-ALLYL-2-THIOUREA
000109-57-9
1,549,517
prop-2-enylthiourea
C=CCNC(=S)N
InChI=1S/C4H8N2S/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
HTKFORQRBXIQHD-UHFFFAOYSA-N
C4H8N2S
116.19
116.040819
0.2
70.1
79
0
2
1
2
7
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
2-CHLOROACETAMIDE
000079-07-2
6,580
2-chloroacetamide
C(C(=O)N)Cl
InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
VXIVSQZSERGHQP-UHFFFAOYSA-N
C2H4ClNO
93.51
92.998141
-0.5
43.1
44
0
1
1
1
5
170 °C
Approximately 225 °C (decomposes)
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
1
0
0
DIALLYL MALEATE
000999-21-3
5,354,266
bis(prop-2-enyl) (Z)-but-2-enedioate
C=CCOC(=O)/C=C\C(=O)OCC=C
InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-
ZPOLOEWJWXZUSP-WAYWQWQTSA-N
C10H12O4
196.2
196.073559
1.5
52.6
227
0
0
4
8
14
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SODIUM VANADATE(V)
013718-26-8
4,148,882
sodium oxido(dioxo)vanadium
[O-][V](=O)=O.[Na+]
InChI=1S/Na.3O.V/q+1;;;-1;
CMZUMMUJMWNLFH-UHFFFAOYSA-N
NaO3V
121.929
121.918471
null
57.2
49
0
0
3
0
5
null
null
0
0
1
1
0
0
1
1
0
0
0
0
0
1
0
0
1
0
1
1
TUNGSTEN HEXACARBONYL
014040-11-0
98,884
carbon monoxide;tungsten
[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChI=1S/6CO.W/c6*1-2;
FQNHWXHRAUXLFU-UHFFFAOYSA-N
C6O6W
351.9
351.920421
null
6
127
0
0
6
0
13
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
SODIUM CACODYLATE
000124-65-2
2,724,247
sodium dimethylarsinate
C[As](=O)(C)[O-].[Na+]
InChI=1S/C2H7AsO2.Na/c1-3(2,4)5;/h1-2H3,(H,4,5);/q;+1/p-1
IHQKEDIOMGYHEB-UHFFFAOYSA-M
C2H6AsNaO2
159.98
159.948143
null
40.1
65
0
0
2
0
6
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
DECYLAMINE
002016-57-1
8,916
decan-1-amine
CCCCCCCCCCN
InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3
MHZGKXUYDGKKIU-UHFFFAOYSA-N
C10H23N
157.3
157.18305
4.2
26
61
0
1
1
8
11
null
220.5 °C
1
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ACETYLTHIOCHOLINE IODIDE
001866-15-5
74,629
2-acetylsulfanylethyl(trimethyl)azanium iodide
CC(=O)SCC[N+](C)(C)C.[I-]
InChI=1S/C7H16NOS.HI/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
NTBLZMAMTZXLBP-UHFFFAOYSA-M
C7H16INOS
289.18
288.99973
null
42.4
117
0
0
3
4
11
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SODIUM ARSENATE, HEPTAHYDRATE
010048-95-0
61,460
disodium;hydrogen arsorate;heptahydrate
O.O.O.O.O.O.O.O[As](=O)([O-])[O-].[Na+].[Na+]
InChI=1S/AsH3O4.2Na.7H2O/c2-1(3,4)5;;;;;;;;;/h(H3,2,3,4,5);;;7*1H2/q;2*+1;;;;;;;/p-2
KOLXPEJIBITWIQ-UHFFFAOYSA-L
AsH15Na2O11
312.01
311.962569
null
90.4
46
0
8
11
0
14
null
356 °F at 760 mmHg (decomposes) (NTP, 1992)
1
0
1
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
N-NITROSO-N-METHYLETHYLAMINE
010595-95-6
25,418
N-ethyl-N-methylnitrous amide
CCN(C)N=O
InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3
RTDCJKARQCRONF-UHFFFAOYSA-N
C3H8N2O
88.11
88.063663
0.6
32.7
46
0
0
3
1
6
76 °C
163 °C at 747 mm Hg
0
0
0
1
0
1
0
1
0
0
0
0
0
0
0
0
1
0
0
1
CACODYLIC ACID
000075-60-5
2,513
dimethylarsinic acid
C[As](=O)(C)O
InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)
OGGXGZAMXPVRFZ-UHFFFAOYSA-N
C2H7AsO2
138
137.966199
null
37.3
62
0
1
2
0
5
null
greater than 392 °F at 760 mmHg (NTP, 1992)
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
LUTETIUM FLUORIDE
013760-81-1
83,712
trifluorolutetium
F[Lu](F)F
InChI=1S/3FH.Lu/h3*1H;/q;;;+3/p-3
VIHLFTMKXFWYAS-UHFFFAOYSA-K
F3Lu
231.9619
231.93599
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
SELENOUREA
000630-10-4
12,414
carbamimidoselenoic acid
C(=N)(N)[SeH]
InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4)
IYKVLICPFCEZOF-UHFFFAOYSA-N
CH4N2Se
123.03
123.95397
null
49.9
33
0
2
1
0
4
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
METHYL METHANESULFONATE
000066-27-3
4,156
methyl methanesulfonate
COS(=O)(=O)C
InChI=1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3
MBABOKRGFJTBAE-UHFFFAOYSA-N
C2H6O3S
110.13
110.003765
-0.4
51.8
105
0
0
3
1
6
220 °F (NTP, 1992)
396 to 397 °F at 760 mmHg (NTP, 1992)
0
0
0
1
0
1
1
1
0
0
1
0
0
1
0
0
1
1
1
1
DIAMINOMALEONITRILE
001187-42-4
2,723,951
(Z)-2,3-diaminobut-2-enedinitrile
C(#N)/C(=C(\C#N)/N)/N
InChI=1S/C4H4N4/c5-1-3(7)4(8)2-6/h7-8H2/b4-3-
DPZSNGJNFHWQDC-ARJAWSKDSA-N
C4H4N4
108.1
108.043596
-1
99.6
183
0
2
4
0
8
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
CHROMIUM(III) IODIDE
013569-75-0
83,586
triiodochromium
[Cr](I)(I)I
InChI=1S/Cr.3HI/h;3*1H/q+3;;;/p-3
PPUZYFWVBLIDMP-UHFFFAOYSA-K
CrI3
432.71
432.6539
null
0
8
0
0
0
0
4
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM IODOACETATE
000305-53-3
5,239
sodium 2-iodoacetate
C(C(=O)[O-])I.[Na+]
InChI=1S/C2H3IO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
AGDSCTQQXMDDCV-UHFFFAOYSA-M
C2H2INaO2
207.93
207.89972
null
40.1
46
0
0
2
1
6
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
PROPARGYLAMINE HYDROCHLORIDE
015430-52-1
11,205,720
prop-2-yn-1-amine;hydrochloride
C#CCN.Cl
InChI=1S/C3H5N.ClH/c1-2-3-4;/h1H,3-4H2;1H
IKXNIQJDNKPPCH-UHFFFAOYSA-N
C3H6ClN
91.54
91.018877
null
26
38
0
2
1
0
5
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
MAGNESIUM HEXAFLUOROSILICATE HEXAHYDRATE
018972-56-0
61,861
magnesium hexafluorosilicon(2-)
F[Si-2](F)(F)(F)(F)F.[Mg+2]
InChI=1S/F6Si.Mg/c1-7(2,3,4,5)6;/q-2;+2
INWUJAAIUAAHJA-UHFFFAOYSA-N
F6MgSi
166.38
165.952387
null
0
62
0
0
7
0
8
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
CYANOGEN IODIDE
000506-78-5
10,478
carbononitridic iodide
C(#N)I
InChI=1S/CIN/c2-1-3
WPBXOELOQKLBDF-UHFFFAOYSA-N
CIN
152.922
152.90755
0.9
23.8
31
0
0
1
0
3
null
Sublimation at temperatures > 45 °C
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
1,4-DICHLORO-2-BUTYNE
000821-10-3
13,182
1,4-dichlorobut-2-yne
C(C#CCCl)Cl
InChI=1S/C4H4Cl2/c5-3-1-2-4-6/h3-4H2
RCHDLEVSZBOHOS-UHFFFAOYSA-N
C4H4Cl2
122.98
121.969006
2
0
66
0
0
0
0
6
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SAMARIUM FLUORIDE
013765-24-7
83,714
trifluorosamarium
F[Sm](F)F
InChI=1S/3FH.Sm/h3*1H;/q;;;+3/p-3
OJIKOZJGHCVMDC-UHFFFAOYSA-K
F3Sm
207.4
208.91495
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
DIMETHYLTIN DICHLORIDE
000753-73-1
12,955
dichloro(dimethyl)stannane
C[Sn](C)(Cl)Cl
InChI=1S/2CH3.2ClH.Sn/h2*1H3;2*1H;/q;;;;+2/p-2
PKKGKUDPKRTKLJ-UHFFFAOYSA-L
C2H6Cl2Sn
219.68
219.886858
null
0
30
0
0
0
0
5
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
1
0
0
1
0
1
0
BERYLLIUM ACETATE, BASIC
019049-40-2
3,035,396
tetraberyllium;oxygen(2-);hexaacetate
[Be+2].[Be+2].[Be+2].[Be+2].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[O-2]
InChI=1S/6C2H4O2.4Be.O/c6*1-2(3)4;;;;;/h6*1H3,(H,3,4);;;;;/q;;;;;;4*+2;-2/p-6
RKARILOACIIVIJ-UHFFFAOYSA-H
C12H18Be4O13
406.31
406.123473
null
242
25
0
0
13
0
29
null
null
0
0
1
1
0
1
1
1
0
0
0
0
0
0
0
0
1
1
1
1
BIS(TRIBUTYLTIN)
000813-19-4
6,327,815
null
CCCC[Sn](CCCC)CCCC.CCCC[Sn](CCCC)CCCC
InChI=1S/6C4H9.2Sn/c6*1-3-4-2;;/h6*1,3-4H2,2H3;;
REDSKZBUUUQMSK-UHFFFAOYSA-N
C24H54Sn2
580.1
580.22636
null
0
168
0
0
0
18
26
null
null
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
0
4,4-DIMETHYL-3-THIOSEMICARBAZIDE
006926-58-5
2,733,700
3-amino-1,1-dimethylthiourea
CN(C)C(=S)NN
InChI=1S/C3H9N3S/c1-6(2)3(7)5-4/h4H2,1-2H3,(H,5,7)
FCPHVJQWZFNNKD-UHFFFAOYSA-N
C3H9N3S
119.19
119.051719
-0.3
73.4
70
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
SELENO-DL-CYSTINE
002897-21-4
15,104
2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
C(C(C(=O)O)N)[Se][Se]CC(C(=O)O)N
InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
JULROCUWKLNBSN-UHFFFAOYSA-N
C6H12N2O4Se2
334.11
335.91275
null
127
192
0
4
6
7
14
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
SELENO-DL-METHIONINE
002578-28-1
15,103
2-amino-4-methylselanylbutanoic acid
C[Se]CCC(C(=O)O)N
InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
RJFAYQIBOAGBLC-UHFFFAOYSA-N
C5H11NO2Se
196.12
196.9955
null
63.3
97
0
2
3
4
9
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
L-SELENOMETHIONINE
003211-76-5
105,024
(2S)-2-amino-4-methylselanylbutanoic acid
C[Se]CC[C@@H](C(=O)O)N
InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
RJFAYQIBOAGBLC-BYPYZUCNSA-N
C5H11NO2Se
196.12
196.9955
null
63.3
97
0
2
3
4
9
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
DECAMETHONIUM BROMIDE
000541-22-0
10,921
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
InChI=1S/C16H38N2.2BrH/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6;;/h7-16H2,1-6H3;2*1H/q+2;;/p-2
HLXQFVXURMXRPU-UHFFFAOYSA-L
C16H38Br2N2
418.3
418.13812
null
0
164
0
0
2
11
20
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
POTASSIUM HEXAFLUOROSILICATE
016871-90-2
61,851
dipotassium;hexafluorosilicon(2-)
F[Si-2](F)(F)(F)(F)F.[K+].[K+]
InChI=1S/F6Si.2K/c1-7(2,3,4,5)6;;/q-2;2*+1
UUHPPUWEDCVPCO-UHFFFAOYSA-N
F6K2Si
220.272
219.894759
null
0
62
0
0
7
0
9
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
ALLYL ACETOACETATE
001118-84-9
70,701
prop-2-enyl 3-oxobutanoate
CC(=O)CC(=O)OCC=C
InChI=1S/C7H10O3/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
AXLMPTNTPOWPLT-UHFFFAOYSA-N
C7H10O3
142.15
142.062994
0.6
43.4
149
0
0
3
5
10
null
null
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2-DIMETHYLAMINOETHYL CHLORIDE HYDROCHLORIDE
004584-46-7
11,636,816
2-chloro-N,N-dimethylethanamine;hydrochloride
CN(C)CCCl.Cl
InChI=1S/C4H10ClN.ClH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
LQLJZSJKRYTKTP-UHFFFAOYSA-N
C4H11Cl2N
144.04
143.026855
null
3.2
28
0
1
1
2
7
null
null
0
1
0
1
0
0
1
1
0
0
1
0
0
0
0
0
1
0
1
1