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
DODECYLTRIMETHYLAMMONIUM BROMIDE
001119-94-4
14,249
dodecyl(trimethyl)azanium bromide
CCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
XJWSAJYUBXQQDR-UHFFFAOYSA-M
C15H34BrN
308.34
307.18746
null
0
135
0
0
1
11
17
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
1
SODIUM CHLOROACETATE
003926-62-3
23,665,759
sodium 2-chloroacetate
C(C(=O)[O-])Cl.[Na+]
InChI=1S/C2H3ClO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1
FDRCDNZGSXJAFP-UHFFFAOYSA-M
C2H2ClNaO2
116.48
115.964101
null
40.1
46
0
0
2
1
6
null
null
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
COPPER(II) ACETATE
000142-71-2
8,895
copper diacetate
CC(=O)[O-].CC(=O)[O-].[Cu+2]
InChI=1S/2C2H4O2.Cu/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
OPQARKPSCNTWTJ-UHFFFAOYSA-L
C4H6CuO4
181.63
180.956206
null
80.3
25
0
0
4
0
9
null
null
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
TRICHLOROACETONITRILE
000545-06-2
11,011
2,2,2-trichloroacetonitrile
C(#N)C(Cl)(Cl)Cl
InChI=1S/C2Cl3N/c3-2(4,5)1-6
DRUIESSIVFYOMK-UHFFFAOYSA-N
C2Cl3N
144.38
142.909632
2.1
23.8
82
0
0
1
0
6
165.5 °F (NTP, 1992)
181 to 183 °F at 760 mmHg (NTP, 1992)
0
1
1
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
TRIBUTYLTIN FLUORIDE, POLYMER
027615-98-1
16,120
tributyl(fluoro)stannane
CCCC[Sn](CCCC)(CCCC)F
InChI=1S/3C4H9.FH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
DFNPRTKVCGZMMC-UHFFFAOYSA-M
C12H27FSn
309.05
310.111882
null
0
104
0
0
1
9
14
null
null
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
0
2-PROPENAMIDE, N-(HYDROXYMETHYL)-2-METHYL-
000923-02-4
70,208
N-(hydroxymethyl)-2-methylprop-2-enamide
CC(=C)C(=O)NCO
InChI=1S/C5H9NO2/c1-4(2)5(8)6-3-7/h7H,1,3H2,2H3,(H,6,8)
DNTMQTKDNSEIFO-UHFFFAOYSA-N
C5H9NO2
115.13
115.063329
-0.1
49.3
109
0
2
2
2
8
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
1
1
DIMETHYL CHLOROTHIOPHOSPHATE
002524-03-0
17,304
chloro-dimethoxy-sulfanylidene-lambda5-phosphane
COP(=S)(OC)Cl
InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3
XFBJRFNXPUCPKU-UHFFFAOYSA-N
C2H6ClO2PS
160.56
159.951465
2
50.6
87
0
0
3
2
7
null
151 to 153 °F at 16 mmHg (EPA, 1998)
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
1,2-PROPANEDIOL, DINITRATE
006423-43-4
22,933
1-nitrooxypropan-2-yl nitrate
CC(CO[N+](=O)[O-])O[N+](=O)[O-]
InChI=1S/C3H6N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3H,2H2,1H3
PSXCGTLGGVDWFU-UHFFFAOYSA-N
C3H6N2O6
166.09
166.022586
1.2
110
147
0
0
6
3
11
null
121 °C (decomposes)
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
1
MANGANESE(II) CHLORIDE
007773-01-5
10,313,134
manganese(2+) dichloride
[Cl-].[Cl-].[Mn+2]
InChI=1S/2ClH.Mn/h2*1H;/q;;+2/p-2
GLFNIEUTAYBVOC-UHFFFAOYSA-L
Cl2Mn
125.84
124.875748
null
0
0
0
0
2
0
3
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
1
0
ANTIMONY METAL (POWDER)
007440-36-0
5,354,495
antimony
[Sb]
InChI=1S/Sb
WATWJIUSRGPENY-UHFFFAOYSA-N
Sb
121.76
120.90381
null
0
0
0
0
0
0
1
null
3182 °F at 760 mmHg (NTP, 1992)
0
0
1
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
1
0
VANADIUM PENTOXIDE
001314-62-1
14,814
dioxovanadiooxy(dioxo)vanadium
O=[V](=O)O[V](=O)=O
InChI=1S/5O.2V
GNTDGMZSJNCJKK-UHFFFAOYSA-N
O5V2
181.88
181.862488
null
77.5
123
0
0
5
0
7
null
3182 °F at 760 mmHg decomposition (EPA, 1998)
0
0
1
1
0
1
1
0
0
0
1
0
0
1
0
0
0
0
1
1
METHYL ETHYL KETOXIME
000096-29-7
7,292
N-butan-2-ylidenehydroxylamine
CCC(=NO)C
InChI=1S/C4H9NO/c1-3-4(2)5-6/h6H,3H2,1-2H3
WHIVNJATOVLWBW-UHFFFAOYSA-N
C4H9NO
87.12
87.068414
0.7
32.6
58
0
1
2
1
6
138 °F (NTP, 1992)
306 °F at 760 mmHg (NTP, 1992)
0
1
0
1
0
1
0
1
0
0
0
0
0
0
0
0
1
1
1
1
AMMONIUM BIFLUORIDE
001341-49-7
14,935
azanium;fluoride;hydrofluoride
[NH4+].F.[F-]
InChI=1S/2FH.H3N/h2*1H;1H3
KVBCYCWRDBDGBG-UHFFFAOYSA-N
F2H5N
57.044
57.039005
null
1
0
0
2
2
0
3
null
463.1 °F at 760 mmHg (Decomposes at 446 °F) (USCG, 1999)
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
LITHIUM HYDROXIDE
001310-65-2
3,939
lithium hydroxide
[Li+].[OH-]
InChI=1S/Li.H2O/h;1H2/q+1;/p-1
WMFOQBRAJBCJND-UHFFFAOYSA-M
HLiO
24
24.018743
null
1
2
0
1
1
0
2
null
null
0
1
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
BISTRIFLUOROMETHANESULFONIMIDE LITHIUM SALT
090076-65-6
87,103,854
null
[Li].C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F
InChI=1S/C2HF6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h9H;
UGEOMRBXRFUYJH-UHFFFAOYSA-N
C2HF6LiNO4S2
288.1
287.941122
null
97.1
374
0
1
11
2
16
null
null
0
1
0
1
0
0
1
0
0
0
0
0
0
0
0
0
1
0
1
0
MAGNESIUM MOLYBDATE
013767-03-8
3,084,170
magnesium dioxido(dioxo)molybdenum
[O-][Mo](=O)(=O)[O-].[Mg+2]
InChI=1S/Mg.Mo.4O/q+2;;;;2*-1
MODMKKOKHKJFHJ-UHFFFAOYSA-N
MgMoO4
184.25
185.870104
null
80.3
62
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
BERYLLIUM METAL (SOLID)
007440-41-7
5,460,467
beryllium
[Be]
InChI=1S/Be
ATBAMAFKBVZNFJ-UHFFFAOYSA-N
Be
9.012183
9.012183
null
0
0
0
0
0
0
1
null
4532 °F at 760 mmHg (NIOSH, 2024)
0
0
1
1
0
1
0
1
0
0
0
0
0
0
0
0
1
1
1
1
BROMOACETIC ACID
000079-08-3
6,227
2-bromoacetic acid
C(C(=O)O)Br
InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
KDPAWGWELVVRCH-UHFFFAOYSA-N
C2H3BrO2
138.95
137.93164
0.4
37.3
42
0
1
2
1
5
113 °C (235 °F) - closed cup
208 °C
1
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
1
0
0
TETRABUTYLTIN
001461-25-2
15,098
tetrabutylstannane
CCCC[Sn](CCCC)(CCCC)CCCC
InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;
AFCAKJKUYFLYFK-UHFFFAOYSA-N
C16H36Sn
347.2
348.183904
null
0
116
0
0
0
12
17
null
145 °C @ 10 mm Hg
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
0
CESIUM FLUOROALUMINATE
138577-01-2
16,703,277
cesium tetrafluoroalumanuide
F[Al-](F)(F)F.[Cs+]
InChI=1S/Al.Cs.4FH/h;;4*1H/q+3;+1;;;;/p-4
UYFXWCIZFDKSTJ-UHFFFAOYSA-J
AlCsF4
235.880603
235.880603
null
0
19
0
0
5
0
6
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
0
ARSENOUS TRIFLUORIDE
007784-35-2
24,571
trifluoroarsane
F[As](F)F
InChI=1S/AsF3/c2-1(3)4
JCMGUODNZMETBM-UHFFFAOYSA-N
AsF3
131.9168
131.916804
null
0
8
0
0
3
0
4
null
57.8 °C
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
AMMONIUM FLUORIDE
012125-01-8
25,516
azanium fluoride
[NH4+].[F-]
InChI=1S/FH.H3N/h1H;1H3
LDDQLRUQCUTJBB-UHFFFAOYSA-N
FH4N
37.037
37.032777
null
1
0
0
1
1
0
2
null
212 °F at 760 mmHg (USCG, 1999)
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
ZINC FLUORIDE
007783-49-5
24,551
difluorozinc
F[Zn]F
InChI=1S/2FH.Zn/h2*1H;/q;;+2/p-2
BHHYHSUAOQUXJK-UHFFFAOYSA-L
F2Zn
103.4
101.925948
null
0
2
0
0
2
0
3
null
2732 °F at 760 mmHg (USCG, 1999)
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
BIS(2-MERCAPTOETHYL)SULFIDE
003570-55-6
77,117
2-(2-sulfanylethylsulfanyl)ethanethiol
C(CSCCS)S
InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
KSJBMDCFYZKAFH-UHFFFAOYSA-N
C4H10S3
154.3
153.994464
1.5
27.3
26
0
2
3
4
7
null
null
1
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
1
BARIUM CHLORIDE, DIHYDRATE
010326-27-9
5,284,346
barium(2+);dichloride;dihydrate
O.O.[Cl-].[Cl-].[Ba+2]
InChI=1S/Ba.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
PWHCIQQGOQTFAE-UHFFFAOYSA-L
BaCl2H4O2
244.26
243.864082
null
2
0
0
2
4
0
5
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
CADMIUM SULFATE ANHYDROUS
010124-36-4
24,962
cadmium(2+) sulfate
[O-]S(=O)(=O)[O-].[Cd+2]
InChI=1S/Cd.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
QCUOBSQYDGUHHT-UHFFFAOYSA-L
CdO4S
208.48
209.855095
null
88.6
62
0
0
4
0
6
null
null
1
0
1
1
0
1
1
0
0
0
1
0
0
1
0
0
0
0
1
0
CADMIUM NITRATE, TETRAHYDRATE
010022-68-1
56,924,536
cadmium(2+);dinitrate;tetrahydrate
[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.O.O.O.[Cd+2]
InChI=1S/Cd.2NO3.4H2O/c;2*2-1(3)4;;;;/h;;;4*1H2/q+2;2*-1;;;;
QOYRNHQSZSCVOW-UHFFFAOYSA-N
CdH8N2O10
308.49
309.921259
null
130
18
0
4
10
0
13
null
null
1
1
1
1
0
1
1
0
0
0
1
0
0
1
0
0
0
0
1
0
ANTIMONY POTASSIUM TARTRATE
028300-74-5
73,415,808
dipotassium;bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate);trihydrate
[C@@H]([C@H](C(=O)[O-])[O-])(C(=O)[O-])[O-].[C@@H]([C@H](C(=O)[O-])[O-])(C(=O)[O-])[O-].O.O.O.[K+].[K+].[Sb+3].[Sb+3]
InChI=1S/2C4H4O6.2K.3H2O.2Sb/c2*5-1(3(7)8)2(6)4(9)10;;;;;;;/h2*1-2H,(H,7,8)(H,9,10);;;3*1H2;;/q2*-2;2*+1;;;;2*+3/p-4/t2*1-,2-;;;;;;;/m11......./s1
WBTCZEPSIIFINA-MSFWTACDSA-J
C8H10K2O15Sb2
667.87
667.73741
null
256
123
0
3
15
2
27
null
null
0
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
ARSENIC ACID (H3ASO4), SODIUM SALT
007631-89-2
47,275
trisodium;arsorate
[O-][As](=O)([O-])[O-].[Na+].[Na+].[Na+]
InChI=1S/AsH3O4.3Na/c2-1(3,4)5;;;/h(H3,2,3,4,5);;;/q;3*+1/p-3
CDBAKLRDFBGJOX-UHFFFAOYSA-K
AsNa3O4
207.889
207.870561
null
86.3
36
0
0
4
0
8
null
356 °F at 760 mmHg (decomposes) (NTP, 1992)
0
0
1
1
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
CHLORAL HYDRATE
000302-17-0
2,707
2,2,2-trichloroethane-1,1-diol
C(C(Cl)(Cl)Cl)(O)O
InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
RNFNDJAIBTYOQL-UHFFFAOYSA-N
C2H3Cl3O2
165.4
163.919862
1
40.5
56
0
2
2
0
7
null
207.5 °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
N-NITROSOSARCOSINE
013256-22-9
25,811
2-[methyl(nitroso)amino]acetic acid
CN(CC(=O)O)N=O
InChI=1S/C3H6N2O3/c1-5(4-8)2-3(6)7/h2H2,1H3,(H,6,7)
HJMPSKKJHVWPBK-UHFFFAOYSA-N
C3H6N2O3
118.09
118.037842
-0.2
70
103
0
1
5
2
8
null
null
0
0
0
1
0
1
0
1
0
0
0
0
0
1
0
0
1
0
0
1
COBALT(II) SULFATE, HEPTAHYDRATE
010026-24-1
61,444
cobalt(2+);sulfate;heptahydrate
O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Co+2]
InChI=1S/Co.H2O4S.7H2O/c;1-5(2,3)4;;;;;;;/h;(H2,1,2,3,4);7*1H2/q+2;;;;;;;;/p-2
MEYVLGVRTYSQHI-UHFFFAOYSA-L
CoH14O11S
281.11
280.958876
null
95.6
62
0
7
11
0
13
null
1355 °F at 760 mmHg (decomposes) (NTP, 1992)
1
0
0
1
0
1
1
1
0
0
1
0
0
1
1
0
0
1
0
0
1,2-DIBROMO-3-CHLOROPROPANE
000096-12-8
7,280
1,2-dibromo-3-chloropropane
C(C(CBr)Br)Cl
InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
WBEJYOJJBDISQU-UHFFFAOYSA-N
C3H5Br2Cl
236.33
235.8426
2.4
0
32
0
0
0
2
6
170 °F (NTP, 1992)
385 °F at 760 mmHg (NTP, 1992)
0
0
0
1
0
1
1
0
0
0
1
0
0
1
0
0
0
0
1
0
1,2-DIETHYLHYDRAZINE
001615-80-1
15,374
1,2-diethylhydrazine
CCNNCC
InChI=1S/C4H12N2/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3
YCBOYOYVDOUXLH-UHFFFAOYSA-N
C4H12N2
88.15
88.100048
0.3
24.1
17
0
2
2
3
6
null
85.5 °C
0
0
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
BORIC ACID (HBO2), BARIUM SALT
013701-59-2
6,101,043
barium(2+);oxido(oxo)borane
B(=O)[O-].B(=O)[O-].[Ba+2]
InChI=1S/2BO2.Ba/c2*2-1-3;/q2*-1;+2
QBLDFAIABQKINO-UHFFFAOYSA-N
B2BaO4
222.95
223.903516
null
80.3
7
0
0
4
0
7
null
null
0
0
1
1
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
CADMIUM CHLORIDE
010108-64-2
24,947
dichlorocadmium
Cl[Cd]Cl
InChI=1S/Cd.2ClH/h;2*1H/q+2;;/p-2
YKYOUMDCQGMQQO-UHFFFAOYSA-L
CdCl2
183.32
183.84107
null
0
2
0
0
0
0
3
null
1760 °F at 760 mmHg (NTP, 1992)
1
0
1
1
0
1
1
0
0
0
1
0
0
1
0
0
0
0
1
0
SODIUM BIFLUORIDE
001333-83-1
219,061
sodium;fluoride;hydrofluoride
F.[F-].[Na+]
InChI=1S/2FH.Na/h2*1H;/q;;+1/p-1
BFXAWOHHDUIALU-UHFFFAOYSA-M
F2HNa
61.9946
61.994401
null
0
2
0
1
2
0
3
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2,2-DIBROMO-2-CYANOACETAMIDE
010222-01-2
25,059
2,2-dibromo-2-cyanoacetamide
C(#N)C(C(=O)N)(Br)Br
InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)
UUIVKBHZENILKB-UHFFFAOYSA-N
C3H2Br2N2O
241.87
241.85134
0.6
66.9
156
0
1
2
1
8
null
Decomposes at 190 °C
1
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
1
0
PHOSPHONIC ACID, (1-HYDROXYETHYLIDENE)BIS-, TRISODIUM SALT
002666-14-0
17,572
trisodium;hydroxy-(1-hydroxy-1-phosphonatoethyl)phosphinate
CC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]
InChI=1S/C2H8O7P2.3Na/c1-2(3,10(4,5)6)11(7,8)9;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;/q;3*+1/p-3
KCYJBQNPOFBNHE-UHFFFAOYSA-K
C2H5Na3O7P2
271.97
271.920359
null
144
221
0
2
7
1
14
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
BERYLLIUM SULFATE TETRAHYDRATE
007787-56-6
62,672
beryllium;sulfate;tetrahydrate
[Be+2].O.O.O.O.[O-]S(=O)(=O)[O-]
InChI=1S/Be.H2O4S.4H2O/c;1-5(2,3)4;;;;/h;(H2,1,2,3,4);4*1H2/q+2;;;;;/p-2
DIMYTQPLZWDZFE-UHFFFAOYSA-L
BeH8O8S
177.14
177.006171
null
92.6
62
0
4
8
0
10
null
1076 °F at 760 mmHg (Decomposes) (NTP, 1992)
0
0
1
1
0
1
1
1
0
0
0
0
0
0
0
0
1
1
1
1
STANNANE, DIBUTYLOXO-
000818-08-6
61,221
dibutyl(oxo)tin
CCCC[Sn](=O)CCCC
InChI=1S/2C4H9.O.Sn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;;
JGFBRKRYDCGYKD-UHFFFAOYSA-N
C8H18OSn
248.94
250.037968
null
17.1
81
0
0
1
6
10
null
161.9 °C
0
0
0
1
0
0
0
1
0
0
1
0
0
1
0
0
1
0
1
0
SEMICARBAZIDE HYDROCHLORIDE
000563-41-7
11,236
aminourea;hydrochloride
C(=O)(N)NN.Cl
InChI=1S/CH5N3O.ClH/c2-1(5)4-3;/h3H2,(H3,2,4,5);1H
XHQYBDSXTDXSHY-UHFFFAOYSA-N
CH6ClN3O
111.53
111.01994
null
81.1
42
0
4
2
0
6
null
347 to 365 °F at 760 mmHg DECOMPOSES (NTP, 1992)
0
0
0
1
0
0
0
1
0
0
0
0
0
1
0
0
1
0
1
0
SODIUM SILICOFLUORIDE
016893-85-9
28,127
disodium;hexafluorosilicon(2-)
F[Si-2](F)(F)(F)(F)F.[Na+].[Na+]
InChI=1S/F6Si.2Na/c1-7(2,3,4,5)6;;/q-2;2*+1
TWGUZEUZLCYTCG-UHFFFAOYSA-N
F6Na2Si
188.055
187.946884
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
BROMOFORM
000075-25-2
5,558
bromoform
C(Br)(Br)Br
InChI=1S/CHBr3/c2-1(3)4/h1H
DIKBFYAXUHHXCS-UHFFFAOYSA-N
CHBr3
252.73
251.76079
2.8
0
8
0
0
0
0
4
null
301.1 °F at 760 mmHg (NTP, 1992)
0
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
METHYLENE IODIDE
000075-11-6
6,346
diiodomethane
C(I)I
InChI=1S/CH2I2/c2-1-3/h1H2
NZZFYRREKKOMAT-UHFFFAOYSA-N
CH2I2
267.835
267.8246
2.3
0
2
0
0
0
0
3
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
SUCCINONITRILE
000110-61-2
8,062
butanedinitrile
C(CC#N)C#N
InChI=1S/C4H4N2/c5-3-1-2-4-6/h1-2H2
IAHFWCOBPZCAEA-UHFFFAOYSA-N
C4H4N2
80.09
80.037448
-1
47.6
92
0
0
2
1
6
270 °F (NTP, 1992)
509 to 513 °F at 760 mmHg (NTP, 1992)
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
FERRIC CHLORIDE, ANHYDROUS
007705-08-0
24,380
trichloroiron
Cl[Fe](Cl)Cl
InChI=1S/3ClH.Fe/h3*1H;/q;;;+3/p-3
RBTARNINKXHZNM-UHFFFAOYSA-K
Cl3Fe
162.2
160.841494
null
0
8
0
0
0
0
4
null
599 °F at 760 mmHg (Decomposes) (NTP, 1992)
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
AMMONIUM THIOCYANATE
001762-95-4
15,666
azanium thiocyanate
C(#N)[S-].[NH4+]
InChI=1S/CHNS.H3N/c2-1-3;/h3H;1H3
SOIFLUNRINLCBN-UHFFFAOYSA-N
CH4N2S
76.12
76.009519
null
25.8
31
0
1
2
0
4
null
Solid decomposes (USCG, 1999)
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
CUPRIC ACETATE MONOHYDRATE
006046-93-1
165,397
copper;diacetate;hydrate
CC(=O)[O-].CC(=O)[O-].O.[Cu+2]
InChI=1S/2C2H4O2.Cu.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+2;/p-2
NWFNSTOSIVLCJA-UHFFFAOYSA-L
C4H8CuO5
199.65
198.96677
null
81.3
25
0
1
5
0
10
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
IRON(2+) CHLORIDE, TETRAHYDRATE
013478-10-9
16,211,588
dichloroiron;tetrahydrate
O.O.O.O.Cl[Fe]Cl
InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2
WSSMOXHYUFMBLS-UHFFFAOYSA-L
Cl2FeH8O4
198.81
197.9149
null
4
2
0
4
4
0
7
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
LITHIUM CARBONATE
000554-13-2
11,125
dilithium;carbonate
[Li+].[Li+].C(=O)([O-])[O-]
InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
XGZVUEUWXADBQD-UHFFFAOYSA-L
CLi2O3
73.9
74.016751
null
63.2
18
0
0
3
0
6
null
Decomposes at 1300 °C
0
0
0
1
0
0
0
1
0
0
0
0
0
1
0
0
1
0
1
1
SODIUM SULFITE ANHYDROUS
007757-83-7
24,437
disodium;sulfite
[O-]S(=O)[O-].[Na+].[Na+]
InChI=1S/2Na.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2
GEHJYWRUCIMESM-UHFFFAOYSA-L
Na2O3S
126.05
125.936354
null
82.4
18
0
0
4
0
6
null
Decomposes (NTP, 1992)
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ZINC ACETATE
000557-34-6
11,192
zinc diacetate
CC(=O)[O-].CC(=O)[O-].[Zn+2]
InChI=1S/2C2H4O2.Zn/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
DJWUNCQRNNEAKC-UHFFFAOYSA-L
C4H6O4Zn
183.5
181.95575
null
80.3
25
0
0
4
0
9
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
ZINC SULFATE
007733-02-0
24,424
zinc sulfate
[O-]S(=O)(=O)[O-].[Zn+2]
InChI=1S/H2O4S.Zn/c1-5(2,3)4;/h(H2,1,2,3,4);/q;+2/p-2
NWONKYPBYAMBJT-UHFFFAOYSA-L
O4SZn
161.4
159.880871
null
88.6
62
0
0
4
0
6
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
GLYCOLIC ACID
000079-14-1
757
2-hydroxyacetic acid
C(C(=O)O)O
InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
AEMRFAOFKBGASW-UHFFFAOYSA-N
C2H4O3
76.05
76.016044
-1.1
57.5
40
0
2
3
1
5
null
100 °C
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
DITHIOTHREITOL
003483-12-3
439,196
(2R,3R)-1,4-bis(sulfanyl)butane-2,3-diol
C([C@@H]([C@H](CS)O)O)S
InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1
VHJLVAABSRFDPM-IMJSIDKUSA-N
C4H10O2S2
154.3
154.012222
-0.4
42.5
52
0
4
4
3
8
null
BP: 115-116 °C at 1 mm Hg
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
CETYLTRIMETHYLAMMONIUM BROMIDE
000057-09-0
5,974
hexadecyl(trimethyl)azanium bromide
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
LZZYPRNAOMGNLH-UHFFFAOYSA-M
C19H42BrN
364.4
363.25006
null
0
181
0
0
1
15
21
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
1
1
ETHYLENEDIAMINE DIHYDROCHLORIDE
000333-18-6
9,521
ethane-1,2-diamine;dihydrochloride
C(CN)N.Cl.Cl
InChI=1S/C2H8N2.2ClH/c3-1-2-4;;/h1-4H2;2*1H
OHHBFEVZJLBKEH-UHFFFAOYSA-N
C2H10Cl2N2
133.02
132.022104
null
52
6
0
4
2
1
6
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
1
0
1
1
0
1
DIETHYL SULFATE
000064-67-5
6,163
diethyl sulfate
CCOS(=O)(=O)OCC
InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3
DENRZWYUOJLTMF-UHFFFAOYSA-N
C4H10O4S
154.19
154.02998
1.1
61
130
0
0
4
4
9
220 °F (USCG, 1999)
409 °F at 760 mmHg (USCG, 1999)
0
1
1
1
0
1
0
0
0
0
1
0
0
0
0
0
1
0
0
0
ZINC BROMIDE, SOLID
007699-45-8
10,421,208
zinc dibromide
[Zn+2].[Br-].[Br-]
InChI=1S/2BrH.Zn/h2*1H;/q;;+2/p-2
VNDYJBBGRKZCSX-UHFFFAOYSA-L
Br2Zn
225.2
223.76377
null
0
0
0
0
2
0
3
null
697 °C
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
1,3-DIBUTYL-2-THIOUREA
000109-46-6
2,723,622
1,3-dibutylthiourea
CCCCNC(=S)NCCCC
InChI=1S/C9H20N2S/c1-3-5-7-10-9(12)11-8-6-4-2/h3-8H2,1-2H3,(H2,10,11,12)
KFFQABQEJATQAT-UHFFFAOYSA-N
C9H20N2S
188.34
188.13472
2.8
56.2
103
0
2
1
6
12
null
null
0
1
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
1
1
0
2-CHLOROPROPIONIC ACID
000598-78-7
11,734
2-chloropropanoic acid
CC(C(=O)O)Cl
InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)
GAWAYYRQGQZKCR-UHFFFAOYSA-N
C3H5ClO2
108.52
107.997807
0.8
37.3
61
0
1
2
1
6
225 °F (USCG, 1999)
366 °F at 760 mmHg (USCG, 1999)
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
DIETHYL ETHYLPHOSPHONATE
000078-38-6
6,534
1-[ethoxy(ethyl)phosphoryl]oxyethane
CCOP(=O)(CC)OCC
InChI=1S/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H3
AATNZNJRDOVKDD-UHFFFAOYSA-N
C6H15O3P
166.16
166.075881
0.6
35.5
114
0
0
3
5
10
220 °F (NTP, 1992)
180 to 181 °F at 11 mmHg (NTP, 1992)
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
CUPRIC BROMIDE
007789-45-9
24,611
dibromocopper
[Cu](Br)Br
InChI=1S/2BrH.Cu/h2*1H;/q;;+2/p-2
QTMDXZNDVAMKGV-UHFFFAOYSA-L
Br2Cu
223.35
222.76422
null
0
2
0
0
0
0
3
null
900 °C
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
ETHANESUFONYL CHLORIDE
000594-44-5
11,667
ethanesulfonyl chloride
CCS(=O)(=O)Cl
InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3
FRYHCSODNHYDPU-UHFFFAOYSA-N
C2H5ClO2S
128.58
127.969878
0.8
42.5
108
0
0
2
1
6
null
177.5 °C
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
LEVULINIC ACID
000123-76-2
11,579
4-oxopentanoic acid
CC(=O)CCC(=O)O
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
JOOXCMJARBKPKM-UHFFFAOYSA-N
C5H8O3
116.11
116.047344
-0.5
54.4
106
0
1
3
3
8
null
245.00 to 246.00 °C. @ 760.00 mm Hg
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
0
METHOXYACETIC ACID
000625-45-6
12,251
2-methoxyacetic acid
COCC(=O)O
InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
RMIODHQZRUFFFF-UHFFFAOYSA-N
C3H6O3
90.08
90.031694
-0.3
46.5
50
0
1
3
2
6
greater than 235 °F (NTP, 1992)
397 to 399 °F at 760 mmHg (NTP, 1992)
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
1
0
0
0
NICKEL(II) ACETATE TETRAHYDRATE
006018-89-9
62,601
nickel(2+);diacetate;tetrahydrate
CC(=O)[O-].CC(=O)[O-].O.O.O.O.[Ni+2]
InChI=1S/2C2H4O2.Ni.4H2O/c2*1-2(3)4;;;;;/h2*1H3,(H,3,4);;4*1H2/q;;+2;;;;/p-2
OINIXPNQKAZCRL-UHFFFAOYSA-L
C4H14NiO8
248.84
248.004209
null
84.3
25
0
4
8
0
13
null
null
0
0
1
1
0
1
0
0
0
0
1
0
0
1
1
0
0
1
1
0
STRONTIUM HYDROXIDE
018480-07-4
87,672
strontium dihydroxide
[OH-].[OH-].[Sr+2]
InChI=1S/2H2O.Sr/h2*1H2;/q;;+2/p-2
UUCCCPNEFXQJEL-UHFFFAOYSA-L
H2O2Sr
121.63
121.911092
null
2
0
0
2
2
0
3
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TETRAPROPYLAMMONIUM HYDROXIDE
004499-86-9
20,586
tetrapropylazanium hydroxide
CCC[N+](CCC)(CCC)CCC.[OH-]
InChI=1S/C12H28N.H2O/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H2/q+1;/p-1
LPSKDVINWQNWFE-UHFFFAOYSA-M
C12H29NO
203.36
203.224915
null
1
80
0
1
1
8
14
null
null
0
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
TRIS(2-CHLOROETHYL) PHOSPHATE
000115-96-8
8,295
tris(2-chloroethyl) phosphate
C(CCl)OP(=O)(OCCCl)OCCCl
InChI=1S/C6H12Cl3O4P/c7-1-4-11-14(10,12-5-2-8)13-6-3-9/h1-6H2
HQUQLFOMPYWACS-UHFFFAOYSA-N
C6H12Cl3O4P
285.5
283.953879
1.3
44.8
152
0
0
4
9
14
450 °F (NTP, 1992)
626 °F at 760 mmHg (NTP, 1992)
0
0
0
1
0
1
1
0
0
0
0
0
0
1
0
0
0
0
0
0
LEAD FORMATE
000811-54-1
61,216
lead(2+) diformate
C(=O)[O-].C(=O)[O-].[Pb+2]
InChI=1S/2CH2O2.Pb/c2*2-1-3;/h2*1H,(H,2,3);/q;;+2/p-2
ZGVSCHRFRACEIO-UHFFFAOYSA-L
C2H2O4Pb
297
297.97196
null
80.3
7
0
0
4
0
7
null
null
1
0
1
1
0
0
1
0
0
0
0
0
0
1
0
0
0
0
1
0
ALUMINUM BROMIDE, ANHYDROUS
007727-15-3
24,409
tribromoalumane
[Al](Br)(Br)Br
InChI=1S/Al.3BrH/h;3*1H/q+3;;;/p-3
PQLAYKMGZDUDLQ-UHFFFAOYSA-K
AlBr3
266.69
265.7345
null
0
8
0
0
0
0
4
null
255 °C
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
1-ETHYL-3-(3-DIMETHYLAMINOPROPYL)-CARBODIIMIDE HYDROCHLORIDE
025952-53-8
2,723,939
3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine;hydrochloride
CCN=C=NCCCN(C)C.Cl
InChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H
FPQQSJJWHUJYPU-UHFFFAOYSA-N
C8H18ClN3
191.7
191.118925
null
28
134
0
1
3
5
12
null
null
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
1
1
SODIUM HEXAFLUOROPHOSPHATE
021324-39-0
5,147,921
sodium hexafluorophosphate
F[P-](F)(F)(F)(F)F.[Na+]
InChI=1S/F6P.Na/c1-7(2,3,4,5)6;/q-1;+1
KMADQUOCJBLXRP-UHFFFAOYSA-N
F6NaP
167.95395
167.95395
null
0
67
0
0
7
0
8
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CHLOROFORM-D
000865-49-6
71,583
trichloro(deuterio)methane
[2H]C(Cl)(Cl)Cl
InChI=1S/CHCl3/c2-1(3)4/h1H/i1D
HEDRZPFGACZZDS-MICDWDOJSA-N
CHCl3
120.38
118.92066
2.3
0
8
0
0
0
0
4
null
null
0
0
1
1
0
1
0
1
0
0
0
0
0
1
0
0
1
0
1
1
POTASSIUM DEUTEROXIDE
024572-01-8
3,084,427
null
[2H][O-].[K+]
InChI=1S/K.H2O/h;1H2/q+1;/p-1/i/hD
KWYUFKZDYYNOTN-DYCDLGHISA-M
HKO
57.112
56.972723
null
1
2
0
1
1
0
2
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CETYLTRIMETHYLAMMONIUM CHLORIDE
000112-02-7
8,154
hexadecyl(trimethyl)azanium chloride
CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]
InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
WOWHHFRSBJGXCM-UHFFFAOYSA-M
C19H42ClN
320
319.300578
null
0
181
0
0
1
15
21
69 °F (USCG, 1999)
180 °F at 760 mmHg (isopropyl alcohol) (USCG, 1999)
1
1
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
MOLYBDENUM HEXAFLUORIDE
007783-77-9
82,219
hexafluoromolybdenum
F[Mo](F)(F)(F)(F)F
InChI=1S/6FH.Mo/h6*1H;/q;;;;;;+6/p-6
RLCOZMCCEKDUPY-UHFFFAOYSA-H
F6Mo
209.94
211.895823
null
0
62
0
0
6
0
7
null
null
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
3-BROMOPROPIONIC ACID
000590-92-1
11,553
3-bromopropanoic acid
C(CBr)C(=O)O
InChI=1S/C3H5BrO2/c4-2-1-3(5)6/h1-2H2,(H,5,6)
DHXNZYCXMFBMHE-UHFFFAOYSA-N
C3H5BrO2
152.97
151.94729
0.5
37.3
52
0
1
2
2
6
null
140-142 °C @ 45 MM HG
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
NIOBIUM(V) CHLORIDE
010026-12-7
24,818
pentachloroniobium
Cl[Nb](Cl)(Cl)(Cl)Cl
InChI=1S/5ClH.Nb/h5*1H;/q;;;;;+5/p-5
YHBDIEWMOMLKOO-UHFFFAOYSA-I
Cl5Nb
270.2
269.74769
null
0
37
0
0
0
0
6
null
null
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ZINC SULFATE HEPTAHYDRATE
007446-20-0
62,640
zinc;sulfate;heptahydrate
O.O.O.O.O.O.O.[O-]S(=O)(=O)[O-].[Zn+2]
InChI=1S/H2O4S.7H2O.Zn/c1-5(2,3)4;;;;;;;;/h(H2,1,2,3,4);7*1H2;/q;;;;;;;;+2/p-2
RZLVQBNCHSJZPX-UHFFFAOYSA-L
H14O11SZn
287.6
285.954824
null
95.6
62
0
7
11
0
13
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
METHYLPHOSPHONIC ACID
000993-13-5
13,818
methylphosphonic acid
CP(=O)(O)O
InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)
YACKEPLHDIMKIO-UHFFFAOYSA-N
CH5O3P
96.022
95.997631
-1.6
57.5
61
0
2
3
0
5
null
Decomposes
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TRIMETHYLHEXAMETHYLENE DIAMINE
003236-53-1
92,950
2,2,4-trimethylhexane-1,6-diamine
CC(CCN)CC(C)(C)CN
InChI=1S/C9H22N2/c1-8(4-5-10)6-9(2,3)7-11/h8H,4-7,10-11H2,1-3H3
JCUZDQXWVYNXHD-UHFFFAOYSA-N
C9H22N2
158.28
158.178299
1
52
99
0
2
2
5
11
null
null
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
HYDROXYLAMINE-O-SULFONIC ACID
002950-43-8
76,284
amino hydrogen sulfate
NOS(=O)(=O)O
InChI=1S/H3NO4S/c1-5-6(2,3)4/h1H2,(H,2,3,4)
DQPBABKTKYNPMH-UHFFFAOYSA-N
H3NO4S
113.1
112.978279
-3.9
98
104
0
2
5
1
6
null
null
1
0
0
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
IODOACETONITRILE
000624-75-9
69,356
2-iodoacetonitrile
C(C#N)I
InChI=1S/C2H2IN/c3-1-2-4/h1H2
VODKOOOHHCAWFR-UHFFFAOYSA-N
C2H2IN
166.95
166.9232
0.7
23.8
41
0
0
1
0
4
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
COBALT(II) SULFATE HYDRATE
060459-08-7
16,210,984
cobalt(2+);sulfate;hydrate
O.[O-]S(=O)(=O)[O-].[Co+2]
InChI=1S/Co.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2
BGORGFZEVHFAQU-UHFFFAOYSA-L
CoH2O5S
173.01
172.895488
null
89.6
62
0
1
5
0
7
null
null
1
0
0
1
0
1
1
0
0
0
1
0
0
1
1
0
0
1
0
0
COBALT(II) CHLORIDE HYDRATE
069098-14-2
16,211,468
dichlorocobalt;hydrate
O.Cl[Co]Cl
InChI=1S/2ClH.Co.H2O/h2*1H;;1H2/q;;+2;/p-2
QVCGXRQVUIKNGS-UHFFFAOYSA-L
Cl2CoH2O
147.85
146.881464
null
1
2
0
1
1
0
4
null
null
1
0
0
1
0
1
1
0
0
0
1
0
0
1
1
0
0
1
0
0
DIETHYL CYANOMETHYLPHOSPHONATE
002537-48-6
75,676
2-diethoxyphosphorylacetonitrile
CCOP(=O)(CC#N)OCC
InChI=1S/C6H12NO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4,6H2,1-2H3
KWMBADTWRIGGGG-UHFFFAOYSA-N
C6H12NO3P
177.14
177.05548
0
59.3
185
0
0
4
5
11
null
null
0
0
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
HEXAFLUOROISOPROPANOL
000920-66-1
13,529
1,1,1,3,3,3-hexafluoropropan-2-ol
C(C(F)(F)F)(C(F)(F)F)O
InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
BYEAHWXPCBROCE-UHFFFAOYSA-N
C3H2F6O
168.04
168.000984
1.7
20.2
97
0
1
7
0
10
greater than 200 °F (NTP, 1992)
138 °F at 760 mmHg (NTP, 1992)
0
1
1
1
0
0
0
1
0
0
0
0
0
1
0
0
1
0
1
1
THIOGLYCEROL
000096-27-5
7,291
3-sulfanylpropane-1,2-diol
C(C(CS)O)O
InChI=1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2
PJUIMOJAAPLTRJ-UHFFFAOYSA-N
C3H8O2S
108.16
108.024501
-0.8
41.5
32
0
3
3
2
6
null
118 °C @ 5 MM HG
0
1
1
1
0
0
0
1
0
0
0
0
0
0
0
0
1
1
0
1
SILVER(I) FLUORIDE
007775-41-9
165,912
silver fluoride
[F-].[Ag+]
InChI=1S/Ag.FH/h;1H/q+1;/p-1
REYHXKZHIMGNSE-UHFFFAOYSA-M
AgF
126.867
125.90349
null
0
0
0
0
1
0
2
null
2118 °F at 760 mmHg (USCG, 1999)
1
1
1
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2-(DIISOPROPYLAMINO)ETHANOL
000096-80-0
7,313
2-[di(propan-2-yl)amino]ethanol
CC(C)N(CCO)C(C)C
InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3
ZYWUVGFIXPNBDL-UHFFFAOYSA-N
C8H19NO
145.24
145.146664
1.2
23.5
73
0
1
2
4
10
175 °F (NFPA, 2010)
null
0
1
1
1
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
TETRABUTYLAMMONIUM TETRAFLUOROBORATE
000429-42-5
67,932
tetrabutylazanium tetrafluoroborate
[B-](F)(F)(F)F.CCCC[N+](CCCC)(CCCC)CCCC
InChI=1S/C16H36N.BF4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;/q+1;-1
NNZZSJSQYOFZAM-UHFFFAOYSA-N
C16H36BF4N
329.3
329.287693
null
0
135
0
0
5
12
22
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2,6-DIMETHYL-2,4,6-OCTATRIENE
000673-84-7
5,368,821
(4E,6E)-2,6-dimethylocta-2,4,6-triene
C/C=C(\C)/C=C/C=C(C)C
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+
GQVMHMFBVWSSPF-SOYUKNQTSA-N
C10H16
136.23
136.125201
4.2
0
164
0
0
0
2
10
null
null
1
0
0
1
1
0
1
1
0
0
0
0
0
0
0
0
1
1
0
0
STRONTIUM CHROMATE
007789-06-2
24,599
strontium dioxido(dioxo)chromium
[O-][Cr](=O)(=O)[O-].[Sr+2]
InChI=1S/Cr.4O.Sr/q;;;2*-1;+2
NVKTUNLPFJHLCG-UHFFFAOYSA-N
CrO4Sr
203.61
203.825775
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
1-DECANESULFONIC ACID, SODIUM SALT
013419-61-9
2,724,181
sodium decane-1-sulfonate
CCCCCCCCCCS(=O)(=O)[O-].[Na+]
InChI=1S/C10H22O3S.Na/c1-2-3-4-5-6-7-8-9-10-14(11,12)13;/h2-10H2,1H3,(H,11,12,13);/q;+1/p-1
AIMUHNZKNFEZSN-UHFFFAOYSA-M
C10H21NaO3S
244.33
244.11091
null
65.6
209
0
0
3
9
15
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
1-BROMOTRIDECANE
000765-09-3
13,000
1-bromotridecane
CCCCCCCCCCCCCBr
InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
BFDNZQUBFCYTIC-UHFFFAOYSA-N
C13H27Br
263.26
262.12961
7.6
0
91
0
0
0
11
14
null
null
0
0
0
1
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
4-CHLOROBUTYRIC ACID
000627-00-9
12,300
4-chlorobutanoic acid
C(CC(=O)O)CCl
InChI=1S/C4H7ClO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
IPLKGJHGWCVSOG-UHFFFAOYSA-N
C4H7ClO2
122.55
122.013457
0.6
37.3
62
0
1
2
3
7
null
null
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TRIBUTYL BORATE
000688-74-4
12,712
tributyl borate
B(OCCCC)(OCCCC)OCCCC
InChI=1S/C12H27BO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
LGQXXHMEBUOXRP-UHFFFAOYSA-N
C12H27BO3
230.15
230.205325
null
27.7
110
0
0
3
12
16
200 °F (open cup)
446 to 448 °F at 760 mmHg (NTP, 1992)
0
1
0
1
0
0
0
1
0
0
0
0
0
1
0
0
1
0
0
1