Datasets:
Anonymous-07
/
SafeChem

Dataset card Data Studio Files
xet
 Community
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
2,4-DECADIENAL
002363-88-4
5,283,349
(2E,4E)-deca-2,4-dienal
CCCCC/C=C/C=C/C=O
InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+
JZQKTMZYLHNFPL-BLHCBFLLSA-N
C10H16O
152.23
152.120115
3.2
17.1
134
0
0
1
6
11
null
null
0
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
2-PROPANAMINE, N-HYDROXY-
005080-22-8
78,763
N-propan-2-ylhydroxylamine
CC(C)NO
InChI=1S/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3
ODHYIQOBTIWVRZ-UHFFFAOYSA-N
C3H9NO
75.11
75.068414
0.1
32.3
20
0
2
2
1
5
null
null
0
1
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
0
ACETIC ACID, CYANO-, BUTYL ESTER
005459-58-5
79,571
butyl 2-cyanoacetate
CCCCOC(=O)CC#N
InChI=1S/C7H11NO2/c1-2-3-6-10-7(9)4-5-8/h2-4,6H2,1H3
DJACTCNGCHPGOI-UHFFFAOYSA-N
C7H11NO2
141.17
141.078979
1.3
50.1
145
0
0
3
5
10
null
null
0
1
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
BUTANAMIDE, N-METHYL-3-OXO-
020306-75-6
88,483
N-methyl-3-oxobutanamide
CC(=O)CC(=O)NC
InChI=1S/C5H9NO2/c1-4(7)3-5(8)6-2/h3H2,1-2H3,(H,6,8)
ATWLCPHWYPSRBQ-UHFFFAOYSA-N
C5H9NO2
115.13
115.063329
-0.6
46.2
109
0
1
2
2
8
null
null
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
PROPANEDINITRILE, [3-(DIHEXYLAMINO)-2-PROPENYLIDENE]-
061600-15-5
108,562
2-[3-(dihexylamino)prop-2-enylidene]propanedinitrile
CCCCCCN(CCCCCC)C=CC=C(C#N)C#N
InChI=1S/C18H29N3/c1-3-5-7-9-13-21(14-10-8-6-4-2)15-11-12-18(16-19)17-20/h11-12,15H,3-10,13-14H2,1-2H3
UKMOTPPGNSDWRI-UHFFFAOYSA-N
C18H29N3
287.4
287.236148
5.6
50.8
373
0
0
3
12
21
null
null
1
1
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
ISOPROPOXYETHANOL
000109-59-1
7,996
2-propan-2-yloxyethanol
CC(C)OCCO
InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
HCGFUIQPSOCUHI-UHFFFAOYSA-N
C5H12O2
104.15
104.08373
0.1
29.5
35
0
1
2
3
7
91.4 °F (USCG, 1999)
285.8 °F at 760 mmHg (USCG, 1999)
0
1
1
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
2-PROPOXYETHANOL
002807-30-9
17,756
2-propoxyethanol
CCCOCCO
InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
YEYKMVJDLWJFOA-UHFFFAOYSA-N
C5H12O2
104.15
104.08373
0.5
29.5
29
0
1
2
4
7
120 °F (USCG, 1999)
301 °F at 760 mmHg (USCG, 1999)
0
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
DIMETHYLFORMAMIDE
000068-12-2
6,228
N,N-dimethylformamide
CN(C)C=O
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
ZMXDDKWLCZADIW-UHFFFAOYSA-N
C3H7NO
73.09
73.052764
-1
20.3
33
0
0
1
0
5
153 °F (NTP, 1992)
300 to 313 °F at 760 mmHg (NTP, 1992)
0
1
1
0
0
0
0
1
0
0
0
0
0
1
0
0
0
0
0
0
ACETONE OXIME
000127-06-0
67,180
N-propan-2-ylidenehydroxylamine
CC(=NO)C
InChI=1S/C3H7NO/c1-3(2)4-5/h5H,1-2H3
PXAJQJMDEXJWFB-UHFFFAOYSA-N
C3H7NO
73.09
73.052764
0.1
32.6
44
0
1
2
0
5
null
133 °C
0
1
0
0
0
1
0
1
0
0
0
0
0
0
0
0
0
1
1
1
AMMONIUM SULFIDE ((NH4)(SH))
012124-99-1
25,515
azanium sulfanide
[NH4+].[SH-]
InChI=1S/H3N.H2S/h1H3;1H2
HIVLDXAAFGCOFU-UHFFFAOYSA-N
H5NS
51.11
51.01427
null
2
0
0
2
1
0
2
null
null
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
DIETHYLENE GLYCOL MONO-N-HEXYL ETHER
000112-59-4
8,199
2-(2-hexoxyethoxy)ethanol
CCCCCCOCCOCCO
InChI=1S/C10H22O3/c1-2-3-4-5-7-12-9-10-13-8-6-11/h11H,2-10H2,1H3
GZMAAYIALGURDQ-UHFFFAOYSA-N
C10H22O3
190.28
190.156895
1.7
38.7
86
0
1
3
10
13
285 °F (USCG, 1999)
498.4 °F at 760 mmHg (USCG, 1999)
0
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
ETHYLENE GLYCOL MONOBUTYL ETHER ACETATE
000112-07-2
8,160
2-butoxyethyl acetate
CCCCOCCOC(=O)C
InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3
NQBXSWAWVZHKBZ-UHFFFAOYSA-N
C8H16O3
160.21
160.109944
1.2
35.5
102
0
0
3
7
11
160 °F (USCG, 1999)
378 °F at 760 mmHg (USCG, 1999)
0
1
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
TRIETHYLENETETRAMINE
000112-24-3
5,565
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
C(CNCCNCCN)N
InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
VILCJCGEZXAXTO-UHFFFAOYSA-N
C6H18N4
146.23
146.153147
-2.5
76.1
49
0
4
4
7
10
275 °F (NTP, 1992)
511 to 513 °F at 760 mmHg (NTP, 1992)
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
1
0
0
1,4-BUTANEDIOL DIACRYLATE
001070-70-8
70,613
4-prop-2-enoyloxybutyl prop-2-enoate
C=CC(=O)OCCCCOC(=O)C=C
InChI=1S/C10H14O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,5-8H2
JHWGFJBTMHEZME-UHFFFAOYSA-N
C10H14O4
198.22
198.089209
1.9
52.6
196
0
0
4
9
14
null
null
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
1
0
0
N-METHYLFORMAMIDE
000123-39-7
31,254
N-methylformamide
CNC=O
InChI=1S/C2H5NO/c1-3-2-4/h2H,1H3,(H,3,4)
ATHHXGZTWNVVOU-UHFFFAOYSA-N
C2H5NO
59.07
59.037114
-1
29.1
20
0
1
1
0
4
208 °F (NTP, 1992)
356 to 365 °F at 760 mmHg (NTP, 1992)
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
DIMETHYL ACETAMIDE
000127-19-5
31,374
N,N-dimethylacetamide
CC(=O)N(C)C
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
FXHOOIRPVKKKFG-UHFFFAOYSA-N
C4H9NO
87.12
87.068414
-0.8
20.3
58
0
0
1
0
6
151 °F (NTP, 1992)
329 to 331 °F at 760 mmHg (NTP, 1992)
0
1
1
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
DIMETHYL FUMARATE
000624-49-7
637,568
dimethyl (E)-but-2-enedioate
COC(=O)/C=C/C(=O)OC
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3+
LDCRTTXIJACKKU-ONEGZZNKSA-N
C6H8O4
144.12
144.042259
0.7
52.6
141
0
0
4
4
10
null
193 °C
0
1
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
1
0
1
FLUOROTRICHLOROMETHANE
000075-69-4
6,389
trichloro(fluoro)methane
C(F)(Cl)(Cl)Cl
InChI=1S/CCl3F/c2-1(3,4)5
CYRMSUTZVYGINF-UHFFFAOYSA-N
CCl3F
137.36
135.904961
2.5
0
28
0
0
1
0
5
null
74.7 °F at 760 mmHg (NTP, 1992)
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
SULFUROUS ACID
007782-99-2
1,100
sulfurous acid
OS(=O)O
InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)
LSNNMFCWUKXFEE-UHFFFAOYSA-N
H2O3S
82.08
81.972465
-0.5
76.7
26
0
2
4
0
4
null
null
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
GLUTARIC ACID
000110-94-1
743
pentanedioic acid
C(CC(=O)O)CC(=O)O
InChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
JFCQEDHGNNZCLN-UHFFFAOYSA-N
C5H8O4
132.11
132.042259
-0.3
74.6
104
0
2
4
4
9
null
576 to 579 °F at 760 mmHg (decomposes) (NTP, 1992)
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ISOVALERIC ACID
000503-74-2
10,430
3-methylbutanoic acid
CC(C)CC(=O)O
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
GWYFCOCPABKNJV-UHFFFAOYSA-N
C5H10O2
102.13
102.06808
1.2
37.3
66
0
1
2
2
7
70 °C
176.5 °C @ 760 MM HG
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM PHOSPHATE, TRIBASIC, DODECAHYDRATE
010101-89-0
61,473
trisodium;phosphate;dodecahydrate
O.O.O.O.O.O.O.O.O.O.O.O.[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]
InChI=1S/3Na.H3O4P.12H2O/c;;;1-5(2,3)4;;;;;;;;;;;;/h;;;(H3,1,2,3,4);12*1H2/q3*+1;;;;;;;;;;;;;/p-3
ASTWEMOBIXQPPV-UHFFFAOYSA-K
H24Na3O16P
380.12
380.049505
null
98.3
36
0
12
16
0
20
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SULFUR PENTAFLUORIDE
005714-22-7
62,586
pentafluoro-(pentafluoro-lambda6-sulfanyl)-lambda6-sulfane
FS(F)(F)(F)(F)S(F)(F)(F)(F)F
InChI=1S/F10S2/c1-11(2,3,4,5)12(6,7,8,9)10
BPFZRKQDXVZTFD-UHFFFAOYSA-N
F10S2
254.12
253.928174
7.2
2
183
0
0
10
0
12
null
84 °F at 760 mmHg (NIOSH, 2024)
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
HAFNIUM CHLORIDE
013499-05-3
37,715
tetrachlorohafnium
Cl[Hf](Cl)(Cl)Cl
InChI=1S/4ClH.Hf/h4*1H;/q;;;;+4/p-4
PDPJQWYGJJBYLF-UHFFFAOYSA-J
Cl4Hf
320.3
321.81902
null
0
19
0
0
0
0
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
1
0
0
CERIC SULFATE
017106-39-7
16,212,733
cerium(4+);sulfuric acid;disulfate;hydrate
O.OS(=O)(=O)O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce+4]
InChI=1S/Ce.3H2O4S.H2O/c;3*1-5(2,3)4;/h;3*(H2,1,2,3,4);1H2/q+4;;;;/p-4
FGTHNVIWCFTMAV-UHFFFAOYSA-J
CeH4O13S3
448.3
447.78685
null
261
144
0
3
13
0
17
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TUNGSTEN HEXACHLORIDE
013283-01-7
83,301
hexachlorotungsten
Cl[W](Cl)(Cl)(Cl)(Cl)Cl
InChI=1S/6ClH.W/h6*1H;/q;;;;;;+6/p-6
KPGXUAIFQMJJFB-UHFFFAOYSA-H
Cl6W
396.5
395.761099
null
0
62
0
0
0
0
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ZIRCONIUM TETRAFLUORIDE
007783-64-4
82,216
tetrafluorozirconium
F[Zr](F)(F)F
InChI=1S/4FH.Zr/h4*1H;/q;;;;+4/p-4
OMQSJNWFFJOIMO-UHFFFAOYSA-J
F4Zr
167.22
165.898311
null
0
19
0
0
4
0
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
RHENIUM HEXAFLUORIDE
010049-17-9
66,231
hexafluororhenium
F[Re](F)(F)(F)(F)F
InChI=1S/6FH.Re/h6*1H;/q;;;;;;+6/p-6
YUCDNKHFHNORTO-UHFFFAOYSA-H
F6Re
300.197
300.946171
null
0
62
0
0
6
0
7
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHOTUNGSTIC ACID
012067-99-1
90,478,944
phosphoric acid;dodecakis(trioxotungsten)
OP(=O)(O)O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O
InChI=1S/H3O4P.36O.12W/c1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h(H3,1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
IYDGMDWEHDFVQI-UHFFFAOYSA-N
H3O40PW12
2,880.1
2,879.20572
null
692
112
0
3
40
0
53
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SPERMINE
000071-44-3
1,103
N,N'-bis(3-aminopropyl)butane-1,4-diamine
C(CCNCCCN)CNCCCN
InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
PFNFFQXMRSDOHW-UHFFFAOYSA-N
C10H26N4
202.34
202.215747
-1.1
76.1
86
0
4
4
11
14
null
150-150 °C
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
3-METHYLVALERIC ACID
000105-43-1
7,755
3-methylpentanoic acid
CCC(C)CC(=O)O
InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
IGIDLTISMCAULB-UHFFFAOYSA-N
C6H12O2
116.16
116.08373
1.6
37.3
78
0
1
2
3
8
null
196.00 to 198.00 °C. @ 760.00 mm Hg
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
MUCOBROMIC ACID
000488-11-9
3,033,972
(Z)-2,3-dibromo-4-oxobut-2-enoic acid
C(=O)/C(=C(\C(=O)O)/Br)/Br
InChI=1S/C4H2Br2O3/c5-2(1-7)3(6)4(8)9/h1H,(H,8,9)/b3-2-
NCNYEGJDGNOYJX-IHWYPQMZSA-N
C4H2Br2O3
257.86
257.83502
1.3
54.4
173
0
1
3
2
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CHROMIUM(II) FLUORIDE
010049-10-2
66,229
difluorochromium
F[Cr]F
InChI=1S/Cr.2FH/h;2*1H/q+2;;/p-2
RNFYGEKNFJULJY-UHFFFAOYSA-L
CrF2
89.993
89.937311
null
0
2
0
0
2
0
3
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
BROMOPYRUVIC ACID
001113-59-3
70,684
3-bromo-2-oxopropanoic acid
C(C(=O)C(=O)O)Br
InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
PRRZDZJYSJLDBS-UHFFFAOYSA-N
C3H3BrO3
166.96
165.92656
0.5
54.4
98
0
1
3
2
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PENTAFLUOROPROPIONIC ANHYDRIDE
000356-42-3
67,742
2,2,3,3,3-pentafluoropropanoyl 2,2,3,3,3-pentafluoropropanoate
C(=O)(C(C(F)(F)F)(F)F)OC(=O)C(C(F)(F)F)(F)F
InChI=1S/C6F10O3/c7-3(8,5(11,12)13)1(17)19-2(18)4(9,10)6(14,15)16
XETRHNFRKCNWAJ-UHFFFAOYSA-N
C6F10O3
310.05
309.968776
3.5
43.4
342
0
0
13
4
19
null
null
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TRIFLUOROACETIC ACID ANHYDRIDE
000407-25-0
9,845
(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
C(=O)(C(F)(F)F)OC(=O)C(F)(F)F
InChI=1S/C4F6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
QAEDZJGFFMLHHQ-UHFFFAOYSA-N
C4F6O3
210.03
209.975163
2.1
43.4
201
0
0
9
2
13
null
null
0
0
1
0
0
0
1
1
0
0
0
0
0
1
0
0
1
0
0
0
PROPYLPHOSPHONIC ACID
004672-38-2
204,484
propylphosphonic acid
CCCP(=O)(O)O
InChI=1S/C3H9O3P/c1-2-3-7(4,5)6/h2-3H2,1H3,(H2,4,5,6)
NSETWVJZUWGCKE-UHFFFAOYSA-N
C3H9O3P
124.08
124.028931
-0.7
57.5
84
0
2
3
2
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
1-AMINOPROPYL-PHOSPHONIC ACID
014047-23-5
178,368
1-aminopropylphosphonic acid
CCC(N)P(=O)(O)O
InChI=1S/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)
DELJNDWGTWHHFA-UHFFFAOYSA-N
C3H10NO3P
139.09
139.03983
-3.8
83.6
109
0
3
4
2
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ZIRCONYL CHLORIDE OCTAHYDRATE
013520-92-8
22,292,067
oxozirconium(2+);dichloride;hydrate
O.O=[Zr+2].[Cl-].[Cl-]
InChI=1S/2ClH.H2O.O.Zr/h2*1H;1H2;;/q;;;;+2/p-2
SDFOCNSOSARAKC-UHFFFAOYSA-L
Cl2H2O2Zr
196.14
193.847883
null
18.1
2
0
1
4
0
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
LITHIUM OXIDE
012057-24-8
166,630
dilithium;oxygen(2-)
[Li+].[Li+].[O-2]
InChI=1S/2Li.O/q2*+1;-2
FUJCRWPEOMXPAD-UHFFFAOYSA-N
Li2O
29.9
30.026921
null
1
0
0
0
1
0
3
null
null
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
METHYL MALONYL CHLORIDE
037517-81-0
123,460
methyl 3-chloro-3-oxopropanoate
COC(=O)CC(=O)Cl
InChI=1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3
UTBCRHAMJFMIIR-UHFFFAOYSA-N
C4H5ClO3
136.53
135.992722
0.6
43.4
110
0
0
3
3
8
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
DIMETHYLDIACETOXYSILANE
002182-66-3
75,130
[acetyloxy(dimethyl)silyl] acetate
CC(=O)O[Si](C)(C)OC(=O)C
InChI=1S/C6H12O4Si/c1-5(7)9-11(3,4)10-6(2)8/h1-4H3
RQVFGTYFBUVGOP-UHFFFAOYSA-N
C6H12O4Si
176.24
176.050485
null
52.6
157
0
0
4
4
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
3-AMINOPROPYL TRIMETHOXYSILANE
013822-56-5
83,756
3-trimethoxysilylpropan-1-amine
CO[Si](CCCN)(OC)OC
InChI=1S/C6H17NO3Si/c1-8-11(9-2,10-3)6-4-5-7/h4-7H2,1-3H3
SJECZPVISLOESU-UHFFFAOYSA-N
C6H17NO3Si
179.29
179.09777
null
53.7
89
0
1
4
6
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM 2-MERCAPTOETHANESULFONATE
019767-45-4
23,662,354
sodium 2-sulfanylethanesulfonate
C(CS(=O)(=O)[O-])S.[Na+]
InChI=1S/C2H6O3S2.Na/c3-7(4,5)2-1-6;/h6H,1-2H2,(H,3,4,5);/q;+1/p-1
XOGTZOOQQBDUSI-UHFFFAOYSA-M
C2H5NaO3S2
164.18
163.957781
null
66.6
123
0
1
4
2
8
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
2-CARBOXYETHYLPHOSPHONIC ACID
005962-42-5
1,682
3-phosphonopropanoic acid
C(CP(=O)(O)O)C(=O)O
InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8)
NLBSQHGCGGFVJW-UHFFFAOYSA-N
C3H7O5P
154.06
154.00311
-2.1
94.8
146
0
3
5
3
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
2,2,2-TRIFLUORETHANESULFONYL CHLORIDE
001648-99-3
74,242
2,2,2-trifluoroethanesulfonyl chloride
C(C(F)(F)F)S(=O)(=O)Cl
InChI=1S/C2H2ClF3O2S/c3-9(7,8)1-2(4,5)6/h1H2
CXCHEKCRJQRVNG-UHFFFAOYSA-N
C2H2ClF3O2S
182.55
181.941613
1.5
42.5
175
0
0
5
1
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SULFURYL CHLORIDE
007791-25-5
24,648
sulfuryl dichloride
O=S(=O)(Cl)Cl
InChI=1S/Cl2O2S/c1-5(2,3)4
YBBRCQOCSYXUOC-UHFFFAOYSA-N
Cl2O2S
134.97
133.899606
1.2
42.5
85
0
0
2
0
5
null
156.4 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
SULFUR TRIOXIDE TRIMETHYLAMINE COMPLEX
003162-58-1
222,852
N,N-dimethylmethanamine;sulfur trioxide
CN(C)C.O=S(=O)=O
InChI=1S/C3H9N.O3S/c2*1-4(2)3/h1-3H3;
DXASQZJWWGZNSF-UHFFFAOYSA-N
C3H9NO3S
139.18
139.030314
null
55.5
69
0
0
4
0
8
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ZIRCONIUM(IV) FLUORIDE HYDRATE
015298-38-1
15,387,074
tetrafluorozirconium;hydrate
O.F[Zr](F)(F)F
InChI=1S/4FH.H2O.Zr/h4*1H;1H2;/q;;;;;+4/p-4
GORLMDNEWNWWBP-UHFFFAOYSA-J
F4H2OZr
185.23
183.908876
null
1
19
0
1
5
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ETHYLPHOSPHONIC ACID
006779-09-5
204,482
ethylphosphonic acid
CCP(=O)(O)O
InChI=1S/C2H7O3P/c1-2-6(3,4)5/h2H2,1H3,(H2,3,4,5)
GATNOFPXSDHULC-UHFFFAOYSA-N
C2H7O3P
110.05
110.013281
-1.2
57.5
72
0
2
3
1
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TETRASODIUM ORTHOSILICATE
013472-30-5
26,051
tetrasodium;silicate
[O-][Si]([O-])([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChI=1S/4Na.O4Si/c;;;;1-5(2,3)4/q4*+1;-4
POWFTOSLLWLEBN-UHFFFAOYSA-N
Na4O4Si
184.04
183.915662
null
92.2
19
0
0
4
0
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
SUCCINYL CHLORIDE
000543-20-4
10,970
butanedioyl dichloride
C(CC(=O)Cl)C(=O)Cl
InChI=1S/C4H4Cl2O2/c5-3(7)1-2-4(6)8/h1-2H2
IRXBNHGNHKNOJI-UHFFFAOYSA-N
C4H4Cl2O2
154.98
153.958835
1.2
34.1
96
0
0
2
3
8
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ZIRCONYL CHLORIDE HYDRATE
015461-27-5
16,211,499
oxozirconium;hydrate;dihydrochloride
O.O=[Zr].Cl.Cl
InChI=1S/2ClH.H2O.O.Zr/h2*1H;1H2;;
VBTPZBJEHPOUOI-UHFFFAOYSA-N
Cl2H4O2Zr
198.16
195.863534
null
18.1
6
0
3
2
0
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
4-AMINOBUTYRALDEHYDE DIETHYL ACETAL
006346-09-4
80,672
4,4-diethoxybutan-1-amine
CCOC(CCCN)OCC
InChI=1S/C8H19NO2/c1-3-10-8(11-4-2)6-5-7-9/h8H,3-7,9H2,1-2H3
GFLPSABXBDCMCN-UHFFFAOYSA-N
C8H19NO2
161.24
161.141579
0.6
44.5
72
0
1
3
7
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
DIMETHYLPHOSPHINIC CHLORIDE
001111-92-8
517,954
[chloro(methyl)phosphoryl]methane
CP(=O)(C)Cl
InChI=1S/C2H6ClOP/c1-5(2,3)4/h1-2H3
CVNMBKFJYRAHPO-UHFFFAOYSA-N
C2H6ClOP
112.49
111.98448
0.2
17.1
64
0
0
1
0
5
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
ZIRCONIUM BROMIDE
013777-25-8
83,727
tetrabromozirconium
Br[Zr](Br)(Br)Br
InChI=1S/4BrH.Zr/h4*1H;/q;;;;+4/p-4
LSWWNKUULMMMIL-UHFFFAOYSA-J
Br4Zr
410.84
409.57395
null
0
19
0
0
0
0
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CERIC SULFATE TETRAHYDRATE
010294-42-5
22,723,557
cerium(4+);disulfate;tetrahydrate
O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce+4]
InChI=1S/Ce.2H2O4S.4H2O/c;2*1-5(2,3)4;;;;/h;2*(H2,1,2,3,4);4*1H2/q+4;;;;;;/p-4
MEXSQFDSPVYJOM-UHFFFAOYSA-J
CeH8O12S2
404.3
403.85117
null
181
62
0
4
12
0
15
null
null
1
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
TIN(IV) BROMIDE
007789-67-5
24,616
tetrabromostannane
Br[Sn](Br)(Br)Br
InChI=1S/4BrH.Sn/h4*1H;/q;;;;+4/p-4
LTSUHJWLSNQKIP-UHFFFAOYSA-J
Br4Sn
438.33
439.57145
null
0
19
0
0
0
0
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
STRONTIUM HYDROXIDE OCTAHYDRATE
001311-10-0
21,617,461
strontium;dihydroxide;octahydrate
O.O.O.O.O.O.O.O.[OH-].[OH-].[Sr+2]
InChI=1S/10H2O.Sr/h10*1H2;/q;;;;;;;;;;+2/p-2
UJPWWRPNIRRCPJ-UHFFFAOYSA-L
H18O10Sr
265.76
265.995609
null
10
0
0
10
10
0
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
4-PENTYNOIC ACID
006089-09-4
22,464
pent-4-ynoic acid
C#CCCC(=O)O
InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7)
MLBYLEUJXUBIJJ-UHFFFAOYSA-N
C5H6O2
98.1
98.036779
0.3
37.3
106
0
1
2
2
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
8-BROMOOCTANOIC ACID
017696-11-6
548,275
8-bromooctanoic acid
C(CCCC(=O)O)CCCBr
InChI=1S/C8H15BrO2/c9-7-5-3-1-2-4-6-8(10)11/h1-7H2,(H,10,11)
BKJFDZSBZWHRNH-UHFFFAOYSA-N
C8H15BrO2
223.11
222.02554
1.3
37.3
104
0
1
2
7
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
METHYL 4-(CHLOROFORMYL)BUTYRATE
001501-26-4
73,916
methyl 5-chloro-5-oxopentanoate
COC(=O)CCCC(=O)Cl
InChI=1S/C6H9ClO3/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3
JCAZSWWHFJVFPP-UHFFFAOYSA-N
C6H9ClO3
164.59
164.024022
1.3
43.4
133
0
0
3
5
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
GLYCINE HYDROCHLORIDE
006000-43-7
22,316
2-aminoacetic acid;hydrochloride
C(C(=O)O)N.Cl
InChI=1S/C2H5NO2.ClH/c3-1-2(4)5;/h1,3H2,(H,4,5);1H
IVLXQGJVBGMLRR-UHFFFAOYSA-N
C2H6ClNO2
111.53
111.008706
null
63.3
42
0
3
3
1
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
SULFURIC ACID-D2
013813-19-9
160,992
dideuterio sulfate
[2H]OS(=O)(=O)O[2H]
InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/i/hD2
QAOWNCQODCNURD-ZSJDYOACSA-N
H2O4S
100.09
99.979933
-1.4
83
81
0
2
4
0
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
BROMOACETYL CHLORIDE
022118-09-8
89,602
2-bromoacetyl chloride
C(C(=O)Cl)Br
InChI=1S/C2H2BrClO/c3-1-2(4)5/h1H2
SYZRZLUNWVNNNV-UHFFFAOYSA-N
C2H2BrClO
157.39
155.89775
1.6
17.1
44
0
0
1
1
5
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
METHANESULFONIC ANHYDRIDE
007143-01-3
81,560
methylsulfonyl methanesulfonate
CS(=O)(=O)OS(=O)(=O)C
InChI=1S/C2H6O5S2/c1-8(3,4)7-9(2,5)6/h1-2H3
IZDROVVXIHRYMH-UHFFFAOYSA-N
C2H6O5S2
174.2
173.965666
-0.8
94.3
227
0
0
5
2
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TRIFLUOROMETHANESULFONYL CHLORIDE
000421-83-0
79,000
trifluoromethanesulfonyl chloride
C(F)(F)(F)S(=O)(=O)Cl
InChI=1S/CClF3O2S/c2-8(6,7)1(3,4)5
GRGCWBWNLSTIEN-UHFFFAOYSA-N
CClF3O2S
168.52
167.925963
1.6
42.5
161
0
0
5
0
8
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ZINC IODIDE
010139-47-6
66,278
diiodozinc
[Zn](I)I
InChI=1S/2HI.Zn/h2*1H;/q;;+2/p-2
UAYWVJHJZHQCIE-UHFFFAOYSA-L
I2Zn
319.2
317.73809
null
0
2
0
0
0
0
3
null
null
1
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
1
0
0
0
3-AMINO-1,2-PROPANEDIOL
000616-30-8
73,561
3-aminopropane-1,2-diol
C(C(CO)O)N
InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2
KQIGMPWTAHJUMN-UHFFFAOYSA-N
C3H9NO2
91.11
91.063329
-2
66.5
32
0
3
3
2
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
3-AMINOPROPYLMETHYLDIETHOXYSILANE
003179-76-8
18,511
3-[diethoxy(methyl)silyl]propan-1-amine
CCO[Si](C)(CCCN)OCC
InChI=1S/C8H21NO2Si/c1-4-10-12(3,11-5-2)8-6-7-9/h4-9H2,1-3H3
HXLAEGYMDGUSBD-UHFFFAOYSA-N
C8H21NO2Si
191.34
191.134155
null
44.5
105
0
1
3
7
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
CAPRYLIC ANHYDRIDE
000623-66-5
69,340
octanoyl octanoate
CCCCCCCC(=O)OC(=O)CCCCCCC
InChI=1S/C16H30O3/c1-3-5-7-9-11-13-15(17)19-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3
RAFYDKXYXRZODZ-UHFFFAOYSA-N
C16H30O3
270.41
270.219495
5.9
43.4
212
0
0
3
14
19
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
N,N-DIMETHYLPHOSPHORAMIC DICHLORIDE
000677-43-0
12,673
N-dichlorophosphoryl-N-methylmethanamine
CN(C)P(=O)(Cl)Cl
InChI=1S/C2H6Cl2NOP/c1-5(2)7(3,4)6/h1-2H3
YNHXBEVSSILHPI-UHFFFAOYSA-N
C2H6Cl2NOP
161.95
160.956406
1.2
20.3
97
0
0
2
1
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
PHOSPHORUS TRIBROMIDE
007789-60-8
24,614
tribromophosphane
P(Br)(Br)Br
InChI=1S/Br3P/c1-4(2)3
IPNPIHIZVLFAFP-UHFFFAOYSA-N
Br3P
270.69
269.72673
2.8
0
8
0
0
0
0
4
null
343 °F at 760 mmHg (USCG, 1999)
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
PERFLUORO-2,5-DIMETHYL-3,6-DIOXANONANOIC ACID
013252-14-7
93,076
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoic acid
C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)O
InChI=1S/C9HF17O4/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19/h(H,27,28)
OIVQVBDAMYDDEM-UHFFFAOYSA-N
C9HF17O4
496.07
495.960337
5.7
55.8
647
0
1
21
7
30
null
null
0
0
1
0
0
0
0
0
0
0
0
0
0
0
1
0
1
0
0
0
1,7-DIAMINOHEPTANE
000646-19-5
69,533
heptane-1,7-diamine
C(CCCN)CCCN
InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2
PWSKHLMYTZNYKO-UHFFFAOYSA-N
C7H18N2
130.23
130.146999
0.3
52
40
0
2
2
6
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CIS-5,8,11,14,17-EICOSAPENTAENOIC ACID
010417-94-4
446,284
(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-
JAZBEHYOTPTENJ-JLNKQSITSA-N
C20H30O2
302.5
302.22458
5.6
37.3
398
0
1
2
13
22
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
HEXAFLUOROGLUTARIC ACID
000376-73-8
67,827
2,2,3,3,4,4-hexafluoropentanedioic acid
C(=O)(C(C(C(C(=O)O)(F)F)(F)F)(F)F)O
InChI=1S/C5H2F6O4/c6-3(7,1(12)13)5(10,11)4(8,9)2(14)15/h(H,12,13)(H,14,15)
CCUWGJDGLACFQT-UHFFFAOYSA-N
C5H2F6O4
240.06
239.985728
1.4
74.6
270
0
2
10
4
15
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
DIETHYL BROMOMALONATE
000685-87-0
69,637
diethyl 2-bromopropanedioate
CCOC(=O)C(C(=O)OCC)Br
InChI=1S/C7H11BrO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3
FNJVDWXUKLTFFL-UHFFFAOYSA-N
C7H11BrO4
239.06
237.98407
1.8
52.6
151
0
0
4
6
12
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
ALUMINUM PHOSPHATE
007784-30-7
64,655
aluminum phosphate
[O-]P(=O)([O-])[O-].[Al+3]
InChI=1S/Al.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3
ILRRQNADMUWWFW-UHFFFAOYSA-K
AlO4P
121.953
121.934959
null
86.3
36
0
0
4
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
RHENIUM (VII) OXIDE
001314-68-7
123,106
trioxo(trioxorheniooxy)rhenium
O=[Re](=O)(=O)O[Re](=O)(=O)=O
InChI=1S/7O.2Re
NBGOSNNAAHDRLK-UHFFFAOYSA-N
O7Re2
484.41
483.87311
null
112
283
0
0
7
0
9
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
NITROSYL TETRAFLUOROBORATE
014635-75-7
151,929
oxoazanium tetrafluoroborate
[B-](F)(F)(F)F.[NH2+]=O
InChI=1S/BF4.H2NO/c2-1(3,4)5;1-2/h;1H2/q-1;+1
CYLOZTYJBXHMJA-UHFFFAOYSA-N
BF4H2NO
118.83
119.016557
null
42.7
21
0
1
6
0
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
TRIISOPROPYLSILYL CHLORIDE
013154-24-0
139,400
chloro-tri(propan-2-yl)silane
CC(C)[Si](C(C)C)(C(C)C)Cl
InChI=1S/C9H21ClSi/c1-7(2)11(10,8(3)4)9(5)6/h7-9H,1-6H3
KQIADDMXRMTWHZ-UHFFFAOYSA-N
C9H21ClSi
192.8
192.110105
null
0
97
0
0
0
3
11
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CHLOROTRIISOBUTYLSILANE
013154-25-1
350,907
chloro-tris(2-methylpropyl)silane
CC(C)C[Si](CC(C)C)(CC(C)C)Cl
InChI=1S/C12H27ClSi/c1-10(2)7-14(13,8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3
TZPZCTBZJKZFGY-UHFFFAOYSA-N
C12H27ClSi
234.88
234.157055
null
0
126
0
0
0
6
14
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
DL-GLYCERALDEHYDE 3-PHOSPHATE FREE ACID
000591-59-3
729
(2-hydroxy-3-oxopropyl) dihydrogen phosphate
C(C(C=O)O)OP(=O)(O)O
InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)
LXJXRIRHZLFYRP-UHFFFAOYSA-N
C3H7O6P
170.06
169.998025
-2.7
104
149
0
3
6
4
10
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TERT-BUTYLDIETHANOLAMINE
002160-93-2
62,430
2-[tert-butyl(2-hydroxyethyl)amino]ethanol
CC(C)(C)N(CCO)CCO
InChI=1S/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3
XHJGXOOOMKCJPP-UHFFFAOYSA-N
C8H19NO2
161.24
161.141579
-0.1
43.7
92
0
2
3
5
11
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
OCTADECYLTRICHLOROSILANE
000112-04-9
8,157
trichloro(octadecyl)silane
CCCCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl
InChI=1S/C18H37Cl3Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3
PYJJCSYBSYXGQQ-UHFFFAOYSA-N
C18H37Cl3Si
387.9
386.173011
null
0
217
0
0
0
16
22
193 °F (NFPA, 2010)
380 °C
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
STANNIC CHLORIDE, 5-HYDRATE
010026-06-9
61,442
tetrachlorostannane;pentahydrate
O.O.O.O.O.Cl[Sn](Cl)(Cl)Cl
InChI=1S/4ClH.5H2O.Sn/h4*1H;5*1H2;/q;;;;;;;;;+4/p-4
KHMOASUYFVRATF-UHFFFAOYSA-J
Cl4H10O5Sn
350.6
351.827487
null
5
19
0
5
5
0
10
null
null
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
ETHYL BROMOPYRUVATE
000070-23-5
66,144
ethyl 3-bromo-2-oxopropanoate
CCOC(=O)C(=O)CBr
InChI=1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3
VICYTAYPKBLQFB-UHFFFAOYSA-N
C5H7BrO3
195.01
193.95786
1.2
43.4
121
0
0
3
4
9
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
1
AMMONIUM HYDROGEN SULFATE
007803-63-6
24,655
azanium hydrogen sulfate
[NH4+].OS(=O)(=O)[O-]
InChI=1S/H3N.H2O4S/c;1-5(2,3)4/h1H3;(H2,1,2,3,4)
BIGPRXCJEDHCLP-UHFFFAOYSA-N
H5NO4S
115.11
114.993929
null
86.8
76
0
2
4
0
6
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TETRABUTYLAMMONIUM FLUORIDE TRIHYDRATE
087749-50-6
11,726,816
tetrabutylazanium;fluoride;trihydrate
CCCC[N+](CCCC)(CCCC)CCCC.O.O.O.[F-]
InChI=1S/C16H36N.FH.3H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;;;/h5-16H2,1-4H3;1H;3*1H2/q+1;;;;/p-1
VEPTXBCIDSFGBF-UHFFFAOYSA-M
C16H42FNO3
315.51
315.314872
null
3
116
0
3
4
12
21
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TETRABUTYLAMMONIUM FLUORIDE HYDRATE
022206-57-1
16,211,673
tetrabutylazanium;fluoride;hydrate
CCCC[N+](CCCC)(CCCC)CCCC.O.[F-]
InChI=1S/C16H36N.FH.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;;/h5-16H2,1-4H3;1H;1H2/q+1;;/p-1
UQCWXKSHRQJGPH-UHFFFAOYSA-M
C16H38FNO
279.48
279.293743
null
1
116
0
1
2
12
19
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
TRIDECANAL
010486-19-8
25,311
tridecanal
CCCCCCCCCCCCC=O
InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3
BGEHHAVMRVXCGR-UHFFFAOYSA-N
C13H26O
198.34
198.198365
5.4
17.1
110
0
0
1
11
14
null
132.00 to 136.00 °C. @ 8.00 mm Hg
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
MESO-2,3-DIBROMOSUCCINIC ACID
000526-78-3
95,324
2,3-dibromobutanedioic acid
C(C(C(=O)O)Br)(C(=O)O)Br
InChI=1S/C4H4Br2O4/c5-1(3(7)8)2(6)4(9)10/h1-2H,(H,7,8)(H,9,10)
FJWGRXKOBIVTFA-UHFFFAOYSA-N
C4H4Br2O4
275.88
275.84558
1
74.6
139
0
2
4
3
10
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
2,3-DIBROMOPROPIONIC ACID
000600-05-5
11,746
2,3-dibromopropanoic acid
C(C(C(=O)O)Br)Br
InChI=1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
ZMYAKSMZTVWUJB-UHFFFAOYSA-N
C3H4Br2O2
231.87
231.85576
1.4
37.3
73
0
1
2
2
7
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
SODIUM OXIDE
001313-59-3
73,971
disodium;oxygen(2-)
[O-2].[Na+].[Na+]
InChI=1S/2Na.O/q2*+1;-2
KKCBUQHMOMHUOY-UHFFFAOYSA-N
Na2O
61.979
61.974453
null
1
0
0
0
1
0
3
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
GERMANIUM CHLORIDE
010038-98-9
66,226
tetrachlorogermane
Cl[Ge](Cl)(Cl)Cl
InChI=1S/Cl4Ge/c1-5(2,3)4
IEXRMSFAVATTJX-UHFFFAOYSA-N
Cl4Ge
214.4
215.793638
null
0
19
0
0
0
0
5
null
null
1
0
1
0
0
0
1
1
0
0
0
0
0
0
0
0
1
0
0
1
SILVER TETRAFLUOROBORATE
014104-20-2
159,722
silver tetrafluoroborate
[B-](F)(F)(F)F.[Ag+]
InChI=1S/Ag.BF4/c;2-1(3,4)5/q+1;-1
CCAVYRRHZLAMDJ-UHFFFAOYSA-N
AgBF4
194.68
193.90801
null
0
19
0
0
5
0
6
null
null
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
CHLOROMETHYLPHOSPHONIC DICHLORIDE
001983-26-2
74,799
chloro(dichlorophosphoryl)methane
C(P(=O)(Cl)Cl)Cl
InChI=1S/CH2Cl3OP/c2-1-6(3,4)5/h1H2
FZXSSJIKXCFPDP-UHFFFAOYSA-N
CH2Cl3OP
167.35
165.890885
1.6
17.1
74
0
0
1
1
6
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
1
DICHLOROMETHYLOCTYLSILANE
014799-93-0
84,649
dichloro-methyl-octylsilane
CCCCCCCC[Si](C)(Cl)Cl
InChI=1S/C9H20Cl2Si/c1-3-4-5-6-7-8-9-12(2,10)11/h3-9H2,1-2H3
QHBMMABVNRSRHW-UHFFFAOYSA-N
C9H20Cl2Si
227.24
226.071133
null
0
105
0
0
0
7
12
null
null
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
0
1,6-BIS(TRICHLOROSILYL)HEXANE
013083-94-8
83,123
trichloro(6-trichlorosilylhexyl)silane
C(CCC[Si](Cl)(Cl)Cl)CC[Si](Cl)(Cl)Cl
InChI=1S/C6H12Cl6Si2/c7-13(8,9)5-3-1-2-4-6-14(10,11)12/h1-6H2
ICJGKYTXBRDUMV-UHFFFAOYSA-N
C6H12Cl6Si2
353
351.857919
null
0
133
0
0
0
5
14
null
null
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0