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

2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile

2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile structure

2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile 

structure
  • CAS No:

    239087-10-6

  • Formula:

    C9H5F4N

  • Chemical Name:

    2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile

  • Synonyms:

    Benzeneacetonitrile,2-fluoro-3-(trifluoromethyl)-;2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile;(2-Fluoro-3-trifluoromethylphenyl)acetonitrile;2-[2-Fluoro-3-(trifluoromethyl)phenyl]acetonitrile

  • Categories:

    Chemical Reagents  >  Deuterated Reagents

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

203.13600

203.14

DTXSID90372167

2926909090

Characteristics

23.79000

2.91058

1.34

221.5ºC at 760mmHg

109ºC

n20/D 1.45(lit.)

0.107mmHg at 25°C

Safety Information

UN 2810

3

R23/24/25; R36/37/38

22-26-36-45

T

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

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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