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CAS 247113-90-2

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3-Fluoro-4-(trifluoromethyl)benzeneacetonitrile

Description:
3-Fluoro-4-(trifluoromethyl)benzeneacetonitrile, with the CAS number 247113-90-2, 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 3-position with a fluorine atom and at the 4-position with a trifluoromethyl group, along with an acetonitrile functional group. The trifluoromethyl group is known for its electron-withdrawing properties, which can significantly influence the reactivity and stability of the compound. The presence of the acetonitrile group contributes to its potential applications in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Additionally, the compound's unique fluorinated structure may impart specific physical properties, such as increased lipophilicity and altered boiling and melting points compared to non-fluorinated analogs. Overall, 3-Fluoro-4-(trifluoromethyl)benzeneacetonitrile is a valuable compound in the field of synthetic organic chemistry.
Formula:C9H5F4N
InChI:InChI=1S/C9H5F4N/c10-8-5-6(3-4-14)1-2-7(8)9(11,12)13/h1-2,5H,3H2
InChI key:InChIKey=SQAMKWHPORKALE-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(F)C=C(CC#N)C=C1
Synonyms:
  • 2-[3-Fluoro-4-(trifluoromethyl)phenyl]acetonitrile
  • 3-Fluoro-4-(trifluoromethyl)phenylacetonitril
  • (3-Fluoro-4-trifluoromethylphenyl)acetonitrile
  • 3-Fluoro-4-(trifluoromethyl)benzeneacetonitrile
  • Benzeneacetonitrile, 3-fluoro-4-(trifluoromethyl)-
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