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CAS 80141-94-2

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4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile

Description:
4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile, with the CAS number 80141-94-2, 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 para position with a fluorine atom and at the ortho 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 applications in pharmaceuticals and agrochemicals. It is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. The compound is known for its stability under various conditions, although it may react with strong nucleophiles due to the electron-withdrawing nature of the trifluoromethyl group. Safety precautions should be taken when handling this substance, as it may pose health risks if inhaled or ingested. Overall, 4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile is a valuable compound in synthetic organic chemistry.
Formula:C9H5F4N
InChI:InChI=1S/C9H5F4N/c10-7-2-1-6(3-4-14)8(5-7)9(11,12)13/h1-2,5H,3H2
InChI key:InChIKey=YTIAVOXEDRIPNR-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(CC#N)C=CC(F)=C1
Synonyms:
  • (4-Fluoro-2-trifluoromethylphenyl)acetonitrile
  • 2-Trifluoromethyl-4-Fluorobenzyl Cyanide
  • 2-[4-Fluoro-2-(trifluoromethyl)phenyl]acetonitrile
  • 4-Fluoro-2-(trifluoromethyl)benzeneacetonitrile
  • 5-Fluoro-2-(trifluoromethyl)phenylacetonitrile
  • Benzeneacetonitrile, 4-fluoro-2-(trifluoromethyl)-
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