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2-[5-fluoro-2-(trifluoromethyl)phenyl]acetonitrile

2-[5-fluoro-2-(trifluoromethyl)phenyl]acetonitrile structure

CAS No:
242812-09-5
Formula:
C9H5F4N
Chemical Name:
2-[5-fluoro-2-(trifluoromethyl)phenyl]acetonitrile
Synonyms:
2-Trifluoromethyl-5-fluorobenzyl cyanide;

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2-[5-fluoro-2-(trifluoromethyl)phenyl]acetonitrile Basic Attributes

Molecular Weight：

203.13600

Exact Mass：

203.03581181

DSSTox ID：

DTXSID20372175

Characteristics

PSA：

23.79000

XLogP3：

2.91058

Density：

1.324g/cm3

Boiling Point：

205.1ºC at 760mmHg

Flash Point：

88.7ºC

Safety Information

Transport codes：

UN 3276

hazard class code：

R20/21/22

safety instructions：

S26; S36/37/39; S45

Marks：

Computed Properties

Molecular Weight:203.14
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:203.03581181
Monoisotopic Mass:203.03581181
Topological Polar Surface Area:23.8
Heavy Atom Count:14
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[5-fluoro-2-(trifluoromethyl)phenyl]acetonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

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