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CAS 239087-10-6

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2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile

Description:
2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile, with the CAS number 239087-10-6, is an organic compound characterized by its aromatic structure and the presence of both a fluorine atom and a trifluoromethyl group. This compound features a benzene ring substituted at the 2-position with a fluorine atom and at the 3-position with a trifluoromethyl group, along with an acetonitrile functional group. The presence of multiple fluorine atoms contributes to its unique chemical properties, including increased lipophilicity and potential reactivity in various chemical reactions. It is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. The compound is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential applications in synthesis and as an intermediate in chemical reactions. Additionally, its stability and reactivity can be influenced by the electronic effects of the fluorine substituents, making it a valuable compound for further research and development in organic chemistry.
Formula:C9H5F4N
InChI:InChI=1S/C9H5F4N/c10-8-6(4-5-14)2-1-3-7(8)9(11,12)13/h1-3H,4H2
InChI key:InChIKey=VUUVDTMSSVKPDJ-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(F)C(CC#N)=CC=C1
Synonyms:
  • (2-Fluoro-3-trifluoromethylphenyl)acetonitrile
  • 2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile
  • 2-Fluoro-3-trifluoromethylbenzylcyanide
  • 2-[2-Fluoro-3-(trifluoromethyl)phenyl]acetonitrile
  • Benzeneacetonitrile, 2-fluoro-3-(trifluoromethyl)-
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