Datasets:
Anonymous-07
/
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
1-BROMO-3-CHLOROPROPANE
000109-70-6
8,006
1-bromo-3-chloropropane
C(CCl)CBr
InChI=1S/C3H6BrCl/c4-2-1-3-5/h1-3H2
MFESCIUQSIBMSM-UHFFFAOYSA-N
C3H6BrCl
157.44
155.93414
1.9
0
16
0
0
0
2
5
57 °C
143.3 °C @ 760 MM HG
0
0
1
1
0
0
1
1
1
0
1
0
0
0
0
0
1
0
0
1
1-DIMETHYLAMINO-2-PROPANOL
000108-16-7
37,511
1-(dimethylamino)propan-2-ol
CC(CN(C)C)O
InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3
NCXUNZWLEYGQAH-UHFFFAOYSA-N
C5H13NO
103.16
103.099714
0
23.5
45
0
1
2
2
7
null
null
0
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
2,2,2-TRIFLUOROETHANOL
000075-89-8
6,409
2,2,2-trifluoroethanol
C(C(F)(F)F)O
InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
RHQDFWAXVIIEBN-UHFFFAOYSA-N
C2H3F3O
100.04
100.013599
0.4
20.2
38
0
1
4
0
6
null
null
0
1
1
1
0
0
0
1
1
0
0
0
0
1
0
0
1
0
1
1
3-METHOXYPROPYLAMINE
005332-73-0
1,672
3-methoxypropan-1-amine
COCCCN
InChI=1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3
FAXDZWQIWUSWJH-UHFFFAOYSA-N
C4H11NO
89.14
89.084064
-0.5
35.3
23
0
1
2
3
6
null
null
0
0
0
1
0
0
1
1
1
0
0
0
0
0
0
0
1
1
0
0
METHYLPENTYNOL
000077-75-8
6,494
3-methylpent-1-yn-3-ol
CCC(C)(C#C)O
InChI=1S/C6H10O/c1-4-6(3,7)5-2/h1,7H,5H2,2-3H3
QXLPXWSKPNOQLE-UHFFFAOYSA-N
C6H10O
98.14
98.073165
0.8
20.2
98
0
1
1
2
7
null
null
0
0
0
1
0
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
N-HEXYLAMINE
000111-26-2
8,102
hexan-1-amine
CCCCCCN
InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3
BMVXCPBXGZKUPN-UHFFFAOYSA-N
C6H15N
101.19
101.12045
2.1
26
27
0
1
1
4
7
85 °F (NFPA, 2010)
132 °C
0
1
0
1
0
0
1
1
1
0
0
0
0
0
0
0
1
0
0
0
TRIALLYLAMINE
000102-70-5
7,617
N,N-bis(prop-2-enyl)prop-2-en-1-amine
C=CCN(CC=C)CC=C
InChI=1S/C9H15N/c1-4-7-10(8-5-2)9-6-3/h4-6H,1-3,7-9H2
VPYJNCGUESNPMV-UHFFFAOYSA-N
C9H15N
137.22
137.12045
2.6
3.2
92
0
0
1
6
10
103 °F (NTP, 1992)
311 to 313 °F at 760 mmHg (NTP, 1992)
0
1
1
1
0
0
1
1
1
0
0
0
0
0
0
0
1
0
0
1
2-METHYL-1-PENTANOL
000105-30-6
7,745
2-methylpentan-1-ol
CCCC(C)CO
InChI=1S/C6H14O/c1-3-4-6(2)5-7/h6-7H,3-5H2,1-2H3
PFNHSEQQEPMLNI-UHFFFAOYSA-N
C6H14O
102.17
102.104465
1.8
20.2
35
0
1
1
3
7
54 °C
148 °C @ 760 MM HG
0
0
0
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
TRIBUTYLTIN HYDRIDE
000688-73-3
5,948
tributylstannane
CCCC[SnH](CCCC)CCCC
InChI=1S/3C4H9.Sn.H/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;
DBGVGMSCBYYSLD-UHFFFAOYSA-N
C12H28Sn
291.06
292.121303
null
0
72
0
0
0
9
13
null
112.5-113.5 @ 8 mm Hg
1
1
0
1
0
0
1
1
1
0
0
0
0
0
0
0
1
0
1
0
METHYL OXALYL CHLORIDE
005781-53-3
79,846
methyl 2-chloro-2-oxoacetate
COC(=O)C(=O)Cl
InChI=1S/C3H3ClO3/c1-7-3(6)2(4)5/h1H3
ZXUQEPZWVQIOJE-UHFFFAOYSA-N
C3H3ClO3
122.51
121.977072
1.1
43.4
98
0
0
3
2
7
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
TITANIUM(IV) ISOPROPOXIDE
000546-68-9
11,026
tetrakis(propan-2-olate);titanium(4+)
CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
InChI=1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
VXUYXOFXAQZZMF-UHFFFAOYSA-N
C12H28O4Ti
284.22
284.1467
null
92.2
10
0
0
4
0
17
null
220 °C @ 760 mm Hg
0
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
0
1
HEXAMETHYLDITIN
000661-69-8
6,327,618
null
C[Sn](C)C.C[Sn](C)C
InChI=1S/6CH3.2Sn/h6*1H3;;
CCRMAATUKBYMPA-UHFFFAOYSA-N
C6H18Sn2
327.63
327.94466
null
0
22
0
0
0
0
8
null
null
1
1
1
1
0
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
PUTRESCINE
000110-60-1
1,045
butane-1,4-diamine
C(CCN)CN
InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
KIDHWZJUCRJVML-UHFFFAOYSA-N
C4H12N2
88.15
88.100048
-0.9
52
17
0
2
2
3
6
null
158.5 °C
0
1
1
1
0
0
1
1
1
0
0
1
0
0
0
0
1
0
0
0
BIS(TRIMETHYLSILYL)ACETAMIDE
010416-59-8
6,913,588
trimethylsilyl (1E)-N-trimethylsilylethanimidate
C/C(=N\[Si](C)(C)C)/O[Si](C)(C)C
InChI=1S/C8H21NOSi2/c1-8(9-11(2,3)4)10-12(5,6)7/h1-7H3/b9-8+
SIOVKLKJSOKLIF-CMDGGOBGSA-N
C8H21NOSi2
203.43
203.116167
null
21.6
176
0
0
2
3
12
null
null
0
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
N,N,N',N'-TETRAMETHYL-1,4-BUTANEDIAMINE
000111-51-3
66,074
N,N,N',N'-tetramethylbutane-1,4-diamine
CN(C)CCCCN(C)C
InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3
VEAZEPMQWHPHAG-UHFFFAOYSA-N
C8H20N2
144.26
144.162649
1
6.5
59
0
0
2
5
10
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
1-NONENE
000124-11-8
31,285
non-1-ene
CCCCCCCC=C
InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3
JRZJOMJEPLMPRA-UHFFFAOYSA-N
C9H18
126.24
126.140851
5.2
0
55
0
0
0
6
9
78 °F (USCG, 1999)
297 °F at 760 mmHg (USCG, 1999)
0
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
HEXAMETHYLPHOSPHOROUS TRIAMIDE
001608-26-0
15,355
N-[bis(dimethylamino)phosphanyl]-N-methylmethanamine
CN(C)P(N(C)C)N(C)C
InChI=1S/C6H18N3P/c1-7(2)10(8(3)4)9(5)6/h1-6H3
XVDBWWRIXBMVJV-UHFFFAOYSA-N
C6H18N3P
163.2
163.123835
0.6
9.7
74
0
0
3
3
10
null
null
0
0
0
0
0
1
0
0
1
0
0
0
0
0
0
0
0
0
0
0
ISOBUTYL CHLOROFORMATE
000543-27-1
62,365
2-methylpropyl carbonochloridate
CC(C)COC(=O)Cl
InChI=1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
YOETUEMZNOLGDB-UHFFFAOYSA-N
C5H9ClO2
136.58
136.029107
2.8
26.3
80
0
0
2
3
8
27 °C c.c.
129 °C
0
0
1
1
0
0
0
1
1
0
0
1
0
0
0
0
1
0
0
1
NEOPENTYL ALCOHOL
000075-84-3
6,404
2,2-dimethylpropan-1-ol
CC(C)(C)CO
InChI=1S/C5H12O/c1-5(2,3)4-6/h6H,4H2,1-3H3
KPSSIOMAKSHJJG-UHFFFAOYSA-N
C5H12O
88.15
88.088815
1.3
20.2
33
0
1
1
1
6
98 °F (37 °C) (CLOSED CUP)
114 °C
0
0
1
0
0
0
0
1
1
1
0
0
0
0
0
0
0
0
0
1
TRIETHOXYCHLOROSILANE
004667-99-6
78,398
chloro(triethoxy)silane
CCO[Si](OCC)(OCC)Cl
InChI=1S/C6H15ClO3Si/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
JEZFASCUIZYYEV-UHFFFAOYSA-N
C6H15ClO3Si
198.72
198.047899
null
27.7
84
0
0
3
6
11
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
DIMETHYL PYROCARBONATE
004525-33-1
3,086
methoxycarbonyl methyl carbonate
COC(=O)OC(=O)OC
InChI=1S/C4H6O5/c1-7-3(5)9-4(6)8-2/h1-2H3
GZDFHIJNHHMENY-UHFFFAOYSA-N
C4H6O5
134.09
134.021523
0.7
61.8
104
0
0
5
4
9
null
BP: 44-47 °C at 5 mm Hg
0
1
1
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
0
TRANS-2-HEPTENAL
018829-55-5
5,283,316
(E)-hept-2-enal
CCCC/C=C/C=O
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
NDFKTBCGKNOHPJ-AATRIKPKSA-N
C7H12O
112.17
112.088815
2.1
17.1
74
0
0
1
4
8
null
90.00 to 91.00 °C. @ 50.00 mm Hg
0
1
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
0
3-CHLORO-2-CHLOROMETHYL-1-PROPENE
001871-57-4
15,859
3-chloro-2-(chloromethyl)prop-1-ene
C=C(CCl)CCl
InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2
XJFZOSUFGSANIF-UHFFFAOYSA-N
C4H6Cl2
124.99
123.984656
2.1
0
43
0
0
0
2
6
null
null
1
0
0
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
(+/-)-2-BROMOPROPIONYL CHLORIDE
007148-74-5
97,980
2-bromopropanoyl chloride
CC(C(=O)Cl)Br
InChI=1S/C3H4BrClO/c1-2(4)3(5)6/h2H,1H3
OZGMODDEIHYPRY-UHFFFAOYSA-N
C3H4BrClO
171.42
169.91341
2
17.1
63
0
0
1
1
6
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
1
OCTYLAMINE
000111-86-4
8,143
octan-1-amine
CCCCCCCCN
InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
IOQPZZOEVPZRBK-UHFFFAOYSA-N
C8H19N
129.24
129.15175
3.1
26
43
0
1
1
6
9
null
null
1
1
1
1
0
0
1
1
1
0
0
0
0
0
0
0
1
0
0
1
2-FLUOROETHANOL
000371-62-0
9,737
2-fluoroethanol
C(CF)O
InChI=1S/C2H5FO/c3-1-2-4/h4H,1-2H2
GGDYAKVUZMZKRV-UHFFFAOYSA-N
C2H5FO
64.06
64.032443
-0.8
20.2
10
0
1
2
1
4
87.8 °F (EPA, 1998)
218.3 °F at 760 mmHg (EPA, 1998)
0
1
1
1
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
3-BROMO-2-BUTANONE
000814-75-5
13,142
3-bromobutan-2-one
CC(C(=O)C)Br
InChI=1S/C4H7BrO/c1-3(5)4(2)6/h3H,1-2H3
BNBOUFHCTIFWHN-UHFFFAOYSA-N
C4H7BrO
151
149.96803
1.1
17.1
60
0
0
1
1
6
null
null
0
1
0
1
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
TETRAKIS(DIMETHYLAMINO)ETHYLENE
000996-70-3
70,455
1-N,1-N,1-N',1-N',2-N,2-N,2-N',2-N'-octamethylethene-1,1,2,2-tetramine
CN(C)C(=C(N(C)C)N(C)C)N(C)C
InChI=1S/C10H24N4/c1-11(2)9(12(3)4)10(13(5)6)14(7)8/h1-8H3
CBXRMKZFYQISIV-UHFFFAOYSA-N
C10H24N4
200.32
200.200097
1.4
13
162
0
0
4
4
14
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
TRIISOBUTYLAMINE
001116-40-1
14,222
2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CC(C)CN(CC(C)C)CC(C)C
InChI=1S/C12H27N/c1-10(2)7-13(8-11(3)4)9-12(5)6/h10-12H,7-9H2,1-6H3
IIFFFBSAXDNJHX-UHFFFAOYSA-N
C12H27N
185.35
185.21435
4.3
3.2
92
0
0
1
6
13
124.3 °F (NTP, 1992)
376.7 °F at 760 mmHg (NTP, 1992)
0
1
1
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
0
PROPIOLIC ACID
000471-25-0
10,110
prop-2-ynoic acid
C#CC(=O)O
InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)
UORVCLMRJXCDCP-UHFFFAOYSA-N
C3H2O2
70.05
70.005479
0.3
37.3
84
0
1
2
0
5
58 °C (136 °F) - closed cup
144 °C (decomposes)
0
1
0
1
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
ZIRCONIUM-N-PROPOXIDE
023519-77-9
90,139
tetrakis(propan-1-olate);zirconium(4+)
CCC[O-].CCC[O-].CCC[O-].CCC[O-].[Zr+4]
InChI=1S/4C3H7O.Zr/c4*1-2-3-4;/h4*2-3H2,1H3;/q4*-1;+4
XPGAWFIWCWKDDL-UHFFFAOYSA-N
C12H28O4Zr
327.57
326.103458
null
92.2
7
0
0
4
4
17
null
null
0
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
BROMOACETALDEHYDE DIETHYL ACETAL
002032-35-1
74,852
2-bromo-1,1-diethoxyethane
CCOC(CBr)OCC
InChI=1S/C6H13BrO2/c1-3-8-6(5-7)9-4-2/h6H,3-5H2,1-2H3
LILXDMFJXYAKMK-UHFFFAOYSA-N
C6H13BrO2
197.07
196.00989
1.6
18.5
53
0
0
2
5
9
null
null
0
0
1
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
1-DECYNE
000764-93-2
12,997
dec-1-yne
CCCCCCCCC#C
InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h1H,4-10H2,2H3
ILLHQJIJCRNRCJ-UHFFFAOYSA-N
C10H18
138.25
138.140851
4.6
0
93
0
0
0
6
10
null
null
1
0
0
0
0
0
1
1
1
0
0
0
0
0
0
0
1
0
0
1
ETHYL OXALYL CHLORIDE
004755-77-5
20,884
ethyl 2-chloro-2-oxoacetate
CCOC(=O)C(=O)Cl
InChI=1S/C4H5ClO3/c1-2-8-4(7)3(5)6/h2H2,1H3
OWZFULPEVHKEKS-UHFFFAOYSA-N
C4H5ClO3
136.53
135.992722
1.4
43.4
110
0
0
3
3
8
null
null
0
0
0
1
0
0
0
1
1
0
0
1
0
0
0
0
1
0
0
1
4-OCTYNE
001942-45-6
16,029
oct-4-yne
CCCC#CCCC
InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
GZTNBKQTTZSQNS-UHFFFAOYSA-N
C8H14
110.2
110.10955
3.4
0
79
0
0
0
2
8
null
null
0
0
0
0
1
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
METHOXYACETYL CHLORIDE
038870-89-2
96,623
2-methoxyacetyl chloride
COCC(=O)Cl
InChI=1S/C3H5ClO2/c1-6-2-3(4)5/h2H2,1H3
JJKWHOSQTYYFAE-UHFFFAOYSA-N
C3H5ClO2
108.52
107.997807
0.7
26.3
52
0
0
2
2
6
null
null
0
0
1
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
1
AMYLTRICHLOROSILANE
000107-72-2
7,885
trichloro(pentyl)silane
CCCCC[Si](Cl)(Cl)Cl
InChI=1S/C5H11Cl3Si/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3
KWDQAHIRKOXFAV-UHFFFAOYSA-N
C5H11Cl3Si
205.6
203.96956
null
0
69
0
0
0
3
9
145 °F (USCG, 1999)
320 °F at 760 mmHg (USCG, 1999)
0
1
1
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
2-CHLOROETHYL METHYL SULFIDE
000542-81-4
10,965
1-chloro-2-methylsulfanylethane
CSCCCl
InChI=1S/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3
MYFKLQFBFSHBPA-UHFFFAOYSA-N
C3H7ClS
110.61
109.995699
1.5
25.3
16
0
0
1
2
5
null
null
0
1
1
1
0
1
0
0
1
0
0
0
0
0
0
0
1
0
0
0
METHYL 3-MERCAPTOPROPIONATE
002935-90-2
18,050
methyl 3-sulfanylpropanoate
COC(=O)CCS
InChI=1S/C4H8O2S/c1-6-4(5)2-3-7/h7H,2-3H2,1H3
LDTLDBDUBGAEDT-UHFFFAOYSA-N
C4H8O2S
120.17
120.024501
0.3
27.3
62
0
1
3
3
7
null
null
1
1
1
1
0
0
1
1
1
0
0
0
0
0
0
0
0
0
0
0
1,2-DIAMINO-2-METHYLPROPANE
000811-93-8
13,128
2-methylpropane-1,2-diamine
CC(C)(CN)N
InChI=1S/C4H12N2/c1-4(2,6)3-5/h3,5-6H2,1-2H3
OPCJOXGBLDJWRM-UHFFFAOYSA-N
C4H12N2
88.15
88.100048
-1
52
40
0
2
2
1
6
null
null
0
0
0
1
0
0
1
1
1
0
0
0
0
0
0
0
1
1
0
0
IODINE MONOCHLORIDE
007790-99-0
24,640
null
ClI
InChI=1S/ClI/c1-2
QZRGKCOWNLSUDK-UHFFFAOYSA-N
ClI
162.36
161.87333
1.7
0
2
0
0
0
0
2
null
97 °C, DECOMP
0
1
0
1
0
0
0
1
1
0
0
0
0
0
1
0
1
0
0
1
1,1,1,5,5,5-HEXAFLUORO-2,4-PENTANEDIONE
001522-22-1
73,706
1,1,1,5,5,5-hexafluoropentane-2,4-dione
C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2
QAMFBRUWYYMMGJ-UHFFFAOYSA-N
C5H2F6O2
208.06
207.995898
2
34.1
200
0
0
8
2
13
null
null
0
1
1
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
1-FLUOROHEXANE
000373-14-8
9,760
1-fluorohexane
CCCCCCF
InChI=1S/C6H13F/c1-2-3-4-5-6-7/h2-6H2,1H3
OFERIJCSHDJMSA-UHFFFAOYSA-N
C6H13F
104.17
104.100129
3.4
0
27
0
0
1
4
7
null
null
0
1
1
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
TERT-BUTYL ISOTHIOCYANATE
000590-42-1
11,544
2-isothiocyanato-2-methylpropane
CC(C)(C)N=C=S
InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3
ZFWFRTVIIMTOLY-UHFFFAOYSA-N
C5H9NS
115.2
115.045571
2.6
44.5
95
0
0
2
1
7
null
null
0
1
1
1
0
0
0
1
1
0
0
0
0
0
0
0
0
0
0
1
TETRAETHYLTIN
000597-64-8
11,704
tetraethylstannane
CC[Sn](CC)(CC)CC
InChI=1S/4C2H5.Sn/c4*1-2;/h4*1H2,2H3;
RWWNQEOPUOCKGR-UHFFFAOYSA-N
C8H20Sn
234.95
236.058703
null
0
47
0
0
0
4
9
null
358 °F at 760 mmHg (EPA, 1998)
1
1
1
1
0
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
TETRAVINYLTIN
001112-56-7
66,189
tetrakis(ethenyl)stannane
C=C[Sn](C=C)(C=C)C=C
InChI=1S/4C2H3.Sn/c4*1-2;/h4*1H,2H2;
MZIYQMVHASXABC-UHFFFAOYSA-N
C8H12Sn
226.89
227.996103
null
0
107
0
0
0
4
9
null
null
0
1
1
1
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
METHYL FLUOROACETATE
000453-18-9
9,959
methyl 2-fluoroacetate
COC(=O)CF
InChI=1S/C3H5FO2/c1-6-3(5)2-4/h2H2,1H3
RJBYSQHLLIHSLT-UHFFFAOYSA-N
C3H5FO2
92.07
92.027358
0.5
26.3
52
0
0
3
2
6
null
104.5 °C
1
0
0
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
HEXANOYL CHLORIDE
000142-61-0
67,340
hexanoyl chloride
CCCCCC(=O)Cl
InChI=1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3
YWGHUJQYGPDNKT-UHFFFAOYSA-N
C6H11ClO
134.6
134.049843
2.9
17.1
70
0
0
1
4
8
null
null
0
0
0
0
0
0
0
1
1
0
0
1
0
0
0
0
1
0
0
0
CHLOROTRIETHYLSILANE
000994-30-9
13,819
chloro(triethyl)silane
CC[Si](CC)(CC)Cl
InChI=1S/C6H15ClSi/c1-4-8(7,5-2)6-3/h4-6H2,1-3H3
DCFKHNIGBAHNSS-UHFFFAOYSA-N
C6H15ClSi
150.72
150.063155
null
0
51
0
0
0
3
8
null
null
0
0
0
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
0
HEPTYLAMINE
000111-68-2
8,127
heptan-1-amine
CCCCCCCN
InChI=1S/C7H17N/c1-2-3-4-5-6-7-8/h2-8H2,1H3
WJYIASZWHGOTOU-UHFFFAOYSA-N
C7H17N
115.22
115.1361
2.6
26
35
0
1
1
5
8
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
1,1,3,3-TETRAMETHYLGUANIDINE
000080-70-6
66,460
1,1,3,3-tetramethylguanidine
CN(C)C(=N)N(C)C
InChI=1S/C5H13N3/c1-7(2)5(6)8(3)4/h6H,1-4H3
KYVBNYUBXIEUFW-UHFFFAOYSA-N
C5H13N3
115.18
115.110947
0.4
30.3
75
0
1
1
2
8
null
null
0
0
0
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
0
MYRCENE
000123-35-3
31,253
7-methyl-3-methylideneocta-1,6-diene
CC(=CCCC(=C)C=C)C
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
UAHWPYUMFXYFJY-UHFFFAOYSA-N
C10H16
136.23
136.125201
4.3
0
145
0
0
0
4
10
103 °F (USCG, 1999)
332.6 °F at 760 mmHg (USCG, 1999)
1
0
0
0
1
0
1
1
1
0
0
0
0
0
0
0
1
0
0
0
TERT-BUTYL BROMOACETATE
005292-43-3
79,177
tert-butyl 2-bromoacetate
CC(C)(C)OC(=O)CBr
InChI=1S/C6H11BrO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
BNWCETAHAJSBFG-UHFFFAOYSA-N
C6H11BrO2
195.05
193.99424
1.9
26.3
104
0
0
2
3
9
null
null
0
0
0
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
NIOBIUM ETHOXIDE
003236-82-6
160,675
ethanolate;niobium(5+)
CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Nb+5]
InChI=1S/5C2H5O.Nb/c5*1-2-3;/h5*2H2,1H3;/q5*-1;+5
ZTILUDNICMILKJ-UHFFFAOYSA-N
C10H25NbO5
318.21
318.07657
null
115
2
0
0
5
0
16
null
null
0
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
0
TRIMETHYLACETIC ANHYDRIDE
001538-75-6
15,234
2,2-dimethylpropanoyl 2,2-dimethylpropanoate
CC(C)(C)C(=O)OC(=O)C(C)(C)C
InChI=1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3
PGZVFRAEAAXREB-UHFFFAOYSA-N
C10H18O3
186.25
186.125594
2.7
43.4
191
0
0
3
4
13
null
null
0
0
0
1
0
0
0
1
1
0
0
0
0
0
0
0
1
1
0
1
N,N-DIMETHYLFORMAMIDE-D7
004472-41-7
78,225
1-deuterio-N,N-bis(trideuteriomethyl)formamide
[2H]C(=O)N(C([2H])([2H])[2H])C([2H])([2H])[2H]
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3/i1D3,2D3,3D
ZMXDDKWLCZADIW-YYWVXINBSA-N
C3H7NO
80.14
80.096701
-1
20.3
33
0
0
1
0
5
null
null
0
1
1
0
0
0
0
1
1
0
0
0
0
1
0
0
0
0
0
0
TRANS-1,3-DICHLOROPROPENE
010061-02-6
24,726
(E)-1,3-dichloroprop-1-ene
C(/C=C/Cl)Cl
InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+
UOORRWUZONOOLO-OWOJBTEDSA-N
C3H4Cl2
110.97
109.969006
1.7
0
31
0
0
0
1
5
null
234 °F at 760 mmHg (NTP, 1992)
1
1
0
1
0
1
1
1
1
0
0
0
0
0
0
0
1
1
0
0
3-ETHYL-3-PENTANOL
000597-49-9
11,702
3-ethylpentan-3-ol
CCC(CC)(CC)O
InChI=1S/C7H16O/c1-4-7(8,5-2)6-3/h8H,4-6H2,1-3H3
XKIRHOWVQWCYBT-UHFFFAOYSA-N
C7H16O
116.2
116.120115
2.1
20.2
47
0
1
1
3
8
null
null
0
0
0
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
ETHYL ALPHA-BROMOPROPIONATE
000535-11-5
79,040
ethyl 2-bromopropanoate
CCOC(=O)C(C)Br
InChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
ARFLASKVLJTEJD-UHFFFAOYSA-N
C5H9BrO2
181.03
179.97859
1.7
26.3
82
0
0
2
3
8
null
null
0
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
1
TANTALUM(V) ETHOXIDE
006074-84-6
160,806
ethanolate;tantalum(5+)
CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Ta+5]
InChI=1S/5C2H5O.Ta/c5*1-2-3;/h5*2H2,1H3;/q5*-1;+5
HSXKFDGTKKAEHL-UHFFFAOYSA-N
C10H25O5Ta
406.25
406.1182
null
115
2
0
0
5
0
16
null
null
0
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
ISOAMYL ETHER
000544-01-4
10,989
3-methyl-1-(3-methylbutoxy)butane
CC(C)CCOCCC(C)C
InChI=1S/C10H22O/c1-9(2)5-7-11-8-6-10(3)4/h9-10H,5-8H2,1-4H3
AQZGPSLYZOOYQP-UHFFFAOYSA-N
C10H22O
158.28
158.167065
3.5
9.2
66
0
0
1
6
11
null
172.5 °C
0
0
1
0
0
0
1
0
1
0
0
0
0
0
0
0
0
1
0
0
PROPYLENE GLYCOL T-BUTYL ETHER
057018-52-7
92,629
1-[(2-methylpropan-2-yl)oxy]propan-2-ol
CC(COC(C)(C)C)O
InChI=1S/C7H16O2/c1-6(8)5-9-7(2,3)4/h6,8H,5H2,1-4H3
GQCZPFJGIXHZMB-UHFFFAOYSA-N
C7H16O2
132.2
132.11503
0.8
29.5
73
0
1
2
3
9
112 °F (NTP, 1992)
304 °F at 760 mmHg (NTP, 1992)
0
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
ETHYL 2-BROMOISOBUTYRATE
000600-00-0
11,745
ethyl 2-bromo-2-methylpropanoate
CCOC(=O)C(C)(C)Br
InChI=1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3
IOLQWGVDEFWYNP-UHFFFAOYSA-N
C6H11BrO2
195.05
193.99424
1.9
26.3
110
0
0
2
3
9
null
null
0
0
0
1
0
0
0
1
1
0
1
0
0
0
0
0
0
1
0
0
4-METHYLHEXANOIC ACID
001561-11-1
15,271
4-methylhexanoic acid
CCC(C)CCC(=O)O
InChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
DIVCBWJKVSFZKJ-UHFFFAOYSA-N
C7H14O2
130.18
130.09938
2
37.3
88
0
1
2
4
9
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
N,O-BIS-(TRIMETHYLSILYL)-HYDROXYLAMINE
022737-37-7
89,815
[dimethyl-(trimethylsilyloxyamino)silyl]methane
C[Si](C)(C)NO[Si](C)(C)C
InChI=1S/C6H19NOSi2/c1-9(2,3)7-8-10(4,5)6/h7H,1-6H3
ZAEUMMRLGAMWKE-UHFFFAOYSA-N
C6H19NOSi2
177.39
177.100517
null
21.3
103
0
1
2
3
10
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
CHLORODIMETHYLOCTYLSILANE
018162-84-0
87,482
chloro-dimethyl-octylsilane
CCCCCCCC[Si](C)(C)Cl
InChI=1S/C10H23ClSi/c1-4-5-6-7-8-9-10-12(2,3)11/h4-10H2,1-3H3
DBKNGKYVNBJWHL-UHFFFAOYSA-N
C10H23ClSi
206.83
206.125755
null
0
102
0
0
0
7
12
null
null
0
0
0
0
0
0
1
1
1
0
0
0
0
0
0
0
1
0
0
0
3-BUTEN-1-0L
000627-27-0
69,389
but-3-en-1-ol
C=CCCO
InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2
ZSPTYLOMNJNZNG-UHFFFAOYSA-N
C4H8O
72.11
72.057515
0.6
20.2
24
0
1
1
2
5
null
113.50 °C. @ 760.00 mm Hg
0
0
0
0
0
0
1
1
1
0
0
0
0
0
0
0
1
0
0
1
5-HEXEN-1-OL
000821-41-0
69,963
hex-5-en-1-ol
C=CCCCCO
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h2,7H,1,3-6H2
UIZVMOZAXAMASY-UHFFFAOYSA-N
C6H12O
100.16
100.088815
1.4
20.2
41
0
1
1
4
7
null
null
0
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
0
2-METHYL-1-BUTANOL
000137-32-6
8,723
2-methylbutan-1-ol
CCC(C)CO
InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
QPRQEDXDYOZYLA-UHFFFAOYSA-N
C5H12O
88.15
88.088815
1.2
20.2
27
0
1
1
2
6
50 °C
128 °C @ 760 MM HG
0
0
1
0
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
AMINOACETALDEHYDE DIMETHYL ACETAL
022483-09-6
89,728
2,2-dimethoxyethanamine
COC(CN)OC
InChI=1S/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3
QKWWDTYDYOFRJL-UHFFFAOYSA-N
C4H11NO2
105.14
105.078979
-0.8
44.5
36
0
1
3
3
7
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
METHYL THIOCYANATE
000556-64-9
11,168
methyl thiocyanate
CSC#N
InChI=1S/C2H3NS/c1-4-2-3/h1H3
VYHVQEYOFIYNJP-UHFFFAOYSA-N
C2H3NS
73.12
72.99862
0.9
49.1
41
0
0
2
0
4
null
266 to 271 °F at 760 mmHg (EPA, 1998)
0
1
1
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
1H,1H,2H,2H-PERFLUORODECAN-1-OL
000865-86-1
70,083
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecan-1-ol
C(CO)C(C(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)(F)F)(F)F
InChI=1S/C12H5F21O/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h34H,1-2H2
FLXYIZWPNQYPIT-UHFFFAOYSA-N
C12H5F21O
564.13
564.000506
7.1
20.2
731
0
1
22
10
34
null
null
0
0
1
1
0
1
0
1
1
0
0
0
0
1
0
0
1
0
1
1
2,2,4,6,6-PENTAMETHYLHEPTANE
013475-82-6
26,058
2,2,4,6,6-pentamethylheptane
CC(CC(C)(C)C)CC(C)(C)C
InChI=1S/C12H26/c1-10(8-11(2,3)4)9-12(5,6)7/h10H,8-9H2,1-7H3
VKPSKYDESGTTFR-UHFFFAOYSA-N
C12H26
170.33
170.203451
5.6
0
104
0
0
0
4
12
null
null
0
0
0
0
1
0
1
0
1
0
0
0
0
0
0
0
0
0
0
0
2-ETHYL-1-HEXANETHIOL
007341-17-5
110,968
2-ethylhexane-1-thiol
CCCCC(CC)CS
InChI=1S/C8H18S/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
UCJMHYXRQZYNNL-UHFFFAOYSA-N
C8H18S
146.3
146.112922
4
1
52
0
1
1
5
9
null
178.00 to 182.00 °C. @ 760.00 mm Hg
0
1
1
1
0
0
1
1
1
0
0
0
0
0
1
0
0
0
0
0
N-HEXYLMETHYLAMINE
035161-70-7
37,079
N-methylhexan-1-amine
CCCCCCNC
InChI=1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3
XJINZNWPEQMMBV-UHFFFAOYSA-N
C7H17N
115.22
115.1361
2.1
12
35
0
1
1
5
8
null
null
0
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
BIS(TRIMETHYLSILYL)SULFIDE
003385-94-2
76,920
trimethyl(trimethylsilylsulfanyl)silane
C[Si](C)(C)S[Si](C)(C)C
InChI=1S/C6H18SSi2/c1-8(2,3)7-9(4,5)6/h1-6H3
RLECCBFNWDXKPK-UHFFFAOYSA-N
C6H18SSi2
178.44
178.066775
null
25.3
76
0
0
1
2
9
null
null
0
1
1
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
TERT-BUTYL CHLOROACETATE
000107-59-5
66,052
tert-butyl 2-chloroacetate
CC(C)(C)OC(=O)CCl
InChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3
KUYMVWXKHQSIAS-UHFFFAOYSA-N
C6H11ClO2
150.6
150.044757
1.7
26.3
104
0
0
2
3
9
null
null
1
1
1
1
0
0
1
1
1
0
0
0
0
0
0
0
1
1
0
0
HEXYL ISOCYANATE
002525-62-4
75,659
1-isocyanatohexane
CCCCCCN=C=O
InChI=1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
ANJPRQPHZGHVQB-UHFFFAOYSA-N
C7H13NO
127.18
127.099714
3.3
29.4
95
0
0
2
5
9
null
null
0
1
1
1
0
0
0
0
1
0
0
0
0
0
1
0
0
1
0
0
GERMANIUM(IV) ISOPROPOXIDE
021154-48-3
16,685,043
tetra(propan-2-yloxy)germane
CC(C)O[Ge](OC(C)C)(OC(C)C)OC(C)C
InChI=1S/C12H28GeO4/c1-9(2)14-13(15-10(3)4,16-11(5)6)17-12(7)8/h9-12H,1-8H3
PKLMYPSYVKAPOX-UHFFFAOYSA-N
C12H28GeO4
308.98
310.119937
null
36.9
159
0
0
4
8
17
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
ETHYL ISOTHIOCYANATE
000542-85-8
10,966
isothiocyanatoethane
CCN=C=S
InChI=1S/C3H5NS/c1-2-4-3-5/h2H2,1H3
HBNYJWAFDZLWRS-UHFFFAOYSA-N
C3H5NS
87.15
87.01427
1.5
44.5
53
0
0
2
1
5
null
null
1
1
1
1
0
0
0
0
1
0
0
0
0
0
1
0
1
1
0
0
TRIETHOXYSILANE
000998-30-1
13,830
triethoxysilane
CCO[SiH](OCC)OCC
InChI=1S/C6H16O3Si/c1-4-7-10(8-5-2)9-6-3/h10H,4-6H2,1-3H3
QQQSFSZALRVCSZ-UHFFFAOYSA-N
C6H16O3Si
164.27
164.086871
null
27.7
55
0
0
3
6
10
26 °C
270 to 275 °F at 760 mmHg (EPA, 1998)
0
0
1
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
0
N-BUTYLETHYLENEDIAMINE
019522-69-1
519,668
N'-butylethane-1,2-diamine
CCCCNCCN
InChI=1S/C6H16N2/c1-2-3-5-8-6-4-7/h8H,2-7H2,1H3
DFPGBRPWDZFIPP-UHFFFAOYSA-N
C6H16N2
116.2
116.131349
0.1
38.1
37
0
2
2
5
8
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
ALLYL CHLOROFORMATE
002937-50-0
18,052
prop-2-enyl carbonochloridate
C=CCOC(=O)Cl
InChI=1S/C4H5ClO2/c1-2-3-7-4(5)6/h2H,1,3H2
CAEWJEXPFKNBQL-UHFFFAOYSA-N
C4H5ClO2
120.53
119.997807
2
26.3
79
0
0
2
3
7
88 °F (USCG, 1999)
235 °F at 760 mmHg (USCG, 1999)
0
0
1
1
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
N,N-DIETHYLBUTYLAMINE
004444-68-2
20,513
N,N-diethylbutan-1-amine
CCCCN(CC)CC
InChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3
ORSUTASIQKBEFU-UHFFFAOYSA-N
C8H19N
129.24
129.15175
2.2
3.2
48
0
0
1
5
9
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
1,3,5-HEXATRIENE
002235-12-3
16,695
hexa-1,3,5-triene
C=CC=CC=C
InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2
AFVDZBIIBXWASR-UHFFFAOYSA-N
C6H8
80.13
80.0626
2.5
0
58
0
0
0
2
6
null
null
0
0
0
1
1
0
0
1
1
0
0
0
0
0
0
0
0
0
0
0
TRIHEXYL(TETRADECYL)PHOSPHONIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE
460092-03-9
11,181,836
bis(trifluoromethylsulfonyl)azanide;trihexyl(tetradecyl)phosphanium
CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChI=1S/C32H68P.C2F6NO4S2/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-32H2,1-4H3;/q+1;-1
HYNYWFRJHNNLJA-UHFFFAOYSA-N
C34H68F6NO4PS2
764
763.423158
null
86
693
0
0
11
30
48
null
null
0
0
0
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
0
2-CHLOROPROPIONYL CHLORIDE
007623-09-8
111,019
2-chloropropanoyl chloride
CC(C(=O)Cl)Cl
InChI=1S/C3H4Cl2O/c1-2(4)3(5)6/h2H,1H3
JEQDSBVHLKBEIZ-UHFFFAOYSA-N
C3H4Cl2O
126.97
125.96392
1.8
17.1
61
0
0
1
1
6
null
null
0
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
1
2,2-DIMETHYL-1,3-PROPANEDIAMINE
007328-91-8
81,770
2,2-dimethylpropane-1,3-diamine
CC(C)(CN)CN
InChI=1S/C5H14N2/c1-5(2,3-6)4-7/h3-4,6-7H2,1-2H3
DDHUNHGZUHZNKB-UHFFFAOYSA-N
C5H14N2
102.18
102.115699
-0.5
52
44
0
2
2
2
7
null
null
0
1
0
1
0
0
0
1
1
0
0
0
0
0
0
0
1
1
0
0
1,3-PENTANEDIAMINE
000589-37-7
102,444
pentane-1,3-diamine
CCC(CCN)N
InChI=1S/C5H14N2/c1-2-5(7)3-4-6/h5H,2-4,6-7H2,1H3
WTSXICLFTPPDTL-UHFFFAOYSA-N
C5H14N2
102.18
102.115699
-0.3
52
37
0
2
2
3
7
null
null
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
ALLYL ISOTHIOCYANATE
000057-06-7
5,971
3-isothiocyanatoprop-1-ene
C=CCN=C=S
InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
ZOJBYZNEUISWFT-UHFFFAOYSA-N
C4H5NS
99.16
99.01427
2.4
44.5
81
0
0
2
2
6
115 °F (NTP, 1992)
304 °F at 760 mmHg (NTP, 1992)
1
1
1
1
0
0
1
1
1
0
0
0
0
0
0
0
1
0
0
0
2-METHOXY-N-(2-METHOXYETHYL)ETHANAMINE
000111-95-5
2,383
2-methoxy-N-(2-methoxyethyl)ethanamine
COCCNCCOC
InChI=1S/C6H15NO2/c1-8-5-3-7-4-6-9-2/h7H,3-6H2,1-2H3
IBZKBSXREAQDTO-UHFFFAOYSA-N
C6H15NO2
133.19
133.110279
-0.5
30.5
44
0
1
3
6
9
null
null
0
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
0
2-AMINOHEPTANE
000123-82-0
5,603
heptan-2-amine
CCCCCC(C)N
InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3
VSRBKQFNFZQRBM-UHFFFAOYSA-N
C7H17N
115.22
115.1361
2.4
26
43
0
1
1
4
8
null
null
0
1
1
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
TRICHLOROPROPYLSILANE
000141-57-1
8,850
trichloro(propyl)silane
CCC[Si](Cl)(Cl)Cl
InChI=1S/C3H7Cl3Si/c1-2-3-7(4,5)6/h2-3H2,1H3
DOEHJNBEOVLHGL-UHFFFAOYSA-N
C3H7Cl3Si
177.53
175.93826
null
0
48
0
0
0
1
7
98 to 100 °F (NFPA, 2010)
123.5 °C
0
0
1
1
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
ETHYL 2-BROMOBUTYRATE
000533-68-6
79,039
ethyl 2-bromobutanoate
CCC(C(=O)OCC)Br
InChI=1S/C6H11BrO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3
XIMFCGSNSKXPBO-UHFFFAOYSA-N
C6H11BrO2
195.05
193.99424
2.2
26.3
93
0
0
2
4
9
null
null
0
0
0
1
0
0
0
1
1
0
0
0
0
0
0
0
1
0
0
1
4-HYDROXY-2-BUTANONE
000590-90-9
111,509
4-hydroxybutan-2-one
CC(=O)CCO
InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3
LVSQXDHWDCMMRJ-UHFFFAOYSA-N
C4H8O2
88.11
88.052429
-0.8
37.3
49
0
1
2
2
6
null
null
0
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
1
1
0
0
ETHYL CYANOFORMATE
000623-49-4
69,336
ethyl cyanoformate
CCOC(=O)C#N
InChI=1S/C4H5NO2/c1-2-7-4(6)3-5/h2H2,1H3
MSMGXWFHBSCQFB-UHFFFAOYSA-N
C4H5NO2
99.09
99.032028
0.6
50.1
110
0
0
3
2
7
null
null
0
1
1
1
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
3,4-DICHLORO-1-BUTENE
000760-23-6
12,971
3,4-dichlorobut-1-ene
C=CC(CCl)Cl
InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2
XVEASTGLHPVZNA-UHFFFAOYSA-N
C4H6Cl2
124.99
123.984656
2.1
0
42
0
0
0
2
6
45 °C
118.6 °C
0
0
1
1
0
0
0
0
1
0
0
0
0
0
0
0
1
0
0
0
3-METHYL-3-BUTEN-1-OL
000763-32-6
12,988
3-methylbut-3-en-1-ol
CC(=C)CCO
InChI=1S/C5H10O/c1-5(2)3-4-6/h6H,1,3-4H2,2H3
CPJRRXSHAYUTGL-UHFFFAOYSA-N
C5H10O
86.13
86.073165
1.3
20.2
47
0
1
1
2
6
null
130.00 °C. @ 760.00 mm Hg
0
0
0
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
1
0
DICHLORO(CHLOROMETHYL)METHYLSILANE
001558-33-4
73,788
dichloro-(chloromethyl)-methylsilane
C[Si](CCl)(Cl)Cl
InChI=1S/C2H5Cl3Si/c1-6(4,5)2-3/h2H2,1H3
JAYBZWYBCUJLNQ-UHFFFAOYSA-N
C2H5Cl3Si
163.5
161.92261
null
0
44
0
0
0
1
6
null
null
0
0
1
0
0
0
1
1
1
0
0
0
0
0
0
0
1
0
0
1
TRIMETHYLSILYL ISOTHIOCYANATE
002290-65-5
75,297
isothiocyanato(trimethyl)silane
C[Si](C)(C)N=C=S
InChI=1S/C4H9NSSi/c1-7(2,3)5-4-6/h1-3H3
XLTUPERVRFLGLJ-UHFFFAOYSA-N
C4H9NSSi
131.27
131.022497
null
44.5
98
0
0
2
1
7
null
null
0
1
1
1
0
0
0
1
1
0
0
0
0
0
1
0
1
0
0
1