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2-[[[3-(Trifluoromethyl)phenyl]methyl]sulfonyl]acetonitrile

2-[[[3-(Trifluoromethyl)phenyl]methyl]sulfonyl]acetonitrile structure

CAS No:
175276-81-0
Formula:
C10H8F3NO2S
Chemical Name:
2-[[[3-(Trifluoromethyl)phenyl]methyl]sulfonyl]acetonitrile
Synonyms:
Acetonitrile,2-[[[3-(trifluoromethyl)phenyl]methyl]sulfonyl]-;Acetonitrile,[[[3-(trifluoromethyl)phenyl]methyl]sulfonyl]-;2-[[[3-(Trifluoromethyl)phenyl]methyl]sulfonyl]acetonitrile;[[3-(Trifluoromethyl)benzyl]sulfonyl]acetonitrile;2-((3-(Trifluoromethyl)benzyl)sulfonyl)acetonitrile

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2-[[[3-(Trifluoromethyl)phenyl]methyl]sulfonyl]acetonitrile Basic Attributes

Molecular Weight：

263.23600

Exact Mass：

263.24

DSSTox ID：

DTXSID90382084

HScode：

2926909090

Characteristics

PSA：

66.31000

XLogP3：

3.22458

Density：

1.354g/cm3

Melting Point：

119-121ºC

Boiling Point：

444.2ºC at 760mmHg

Flash Point：

222.4ºC

Refractive Index：

1.494

Vapor Pressure：

3.91E-07mmHg at 25°C

Safety Information

hazard class code：

R20/21/22; R36/37/38

safety instructions：

22-36/37/39

Computed Properties

Molecular Weight:263.24
XLogP3:1.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:263.02278416
Monoisotopic Mass:263.02278416
Topological Polar Surface Area:66.3
Heavy Atom Count:17
Complexity:402
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: ethanolamine; ammonium bicarbonate; d glucopyranose; diphosphorus pentoxide; calcium iodide; pentanal

Guide of 2-[[[3-(Trifluoromethyl)phenyl]methyl]sulfonyl]acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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