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Home > Encyclopedia > 2-Fluoro-3-(trifluoromethyl)benzonitrile

2-Fluoro-3-(trifluoromethyl)benzonitrile

2-Fluoro-3-(trifluoromethyl)benzonitrile structure

2-Fluoro-3-(trifluoromethyl)benzonitrile 

structure
  • CAS No:

    146070-35-1

  • Formula:

    C8H3F4N

  • Chemical Name:

    2-Fluoro-3-(trifluoromethyl)benzonitrile

  • Synonyms:

    2-FLUORO-3-(TRIFLUOROMETHYL)BENZONITRILE;

2-Fluoro-3-(trifluoromethyl)benzonitrile Basic Attributes

189.11000

189.02016175 g/mol

DTXSID00333860

2926909090

Characteristics

23.79000

2.71618

1.32g/cm3

66-69ºC

196ºC

88.3ºC

n20/D 1.4495(lit.)

0.409mmHg at 25°C

Safety Information

III

6.1

UN 3276

3

R20/21/22; R36/38

S26-S36/37/39

Xn; T; Xi

|Warning|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:189.11
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Exact Mass:189.02016175
Monoisotopic Mass:189.02016175
Topological Polar Surface Area:23.8
Heavy Atom Count:13
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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