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2-[[(4-Fluorophenyl)methyl]sulfonyl]acetonitrile

2-[[(4-Fluorophenyl)methyl]sulfonyl]acetonitrile structure

CAS No:
175276-84-3
Formula:
C9H8FNO2S
Chemical Name:
2-[[(4-Fluorophenyl)methyl]sulfonyl]acetonitrile
Synonyms:
Acetonitrile,2-[[(4-fluorophenyl)methyl]sulfonyl]-;Acetonitrile,[[(4-fluorophenyl)methyl]sulfonyl]-;2-[[(4-Fluorophenyl)methyl]sulfonyl]acetonitrile;2-[(4-Fluorobenzyl)sulfonyl]acetonitrile;2-[(4-Fluorophenyl)methanesulfonyl]acetonitrile

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2-[[(4-Fluorophenyl)methyl]sulfonyl]acetonitrile Basic Attributes

Molecular Weight：

213.22900

Exact Mass：

213.23

DSSTox ID：

DTXSID10371970

HScode：

2926909090

Characteristics

PSA：

66.31000

XLogP3：

2.34488

Density：

1.44g/cm3

Melting Point：

137-140ºC

Boiling Point：

534.5ºC

Flash Point：

277.1ºC

Refractive Index：

1.58

Vapor Pressure：

2.95E-12mmHg at 25°C

Safety Information

Transport codes：

UN 3439

hazard class code：

R20/21/22

safety instructions：

S26; S36/37/39

Marks：

Computed Properties

Molecular Weight:213.23
XLogP3:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:213.02597783
Monoisotopic Mass:213.02597783
Topological Polar Surface Area:66.3
Heavy Atom Count:14
Complexity:317
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[(4-Fluorophenyl)methyl]sulfonyl]acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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