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CAS 186517-05-5

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2,3-DIFLUORO-6-(TRIFLUOROMETHYL)BENZONITRILE

Description:
2,3-Difluoro-6-(trifluoromethyl)benzonitrile is an organic compound characterized by its aromatic structure, featuring a benzene ring substituted with both difluoro and trifluoromethyl groups, as well as a nitrile functional group. The presence of the difluoro substituents at the 2 and 3 positions of the benzene ring enhances the compound's reactivity and polarity, while the trifluoromethyl group at the 6 position contributes to its lipophilicity and potential biological activity. The nitrile group (-C≡N) introduces a polar functional group that can participate in various chemical reactions, including nucleophilic additions and coordination with metal ions. This compound is typically used in research and development, particularly in the fields of pharmaceuticals and agrochemicals, due to its unique electronic properties and potential applications in drug design. Its physical properties, such as boiling point, melting point, and solubility, are influenced by the fluorinated substituents, which can significantly alter the compound's behavior in different environments.
Formula:C8H2F5N
InChI:InChI=1/C8H2F5N/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-2H
SMILES:c1cc(c(c(C#N)c1C(F)(F)F)F)F
Synonyms:
  • 2-Cyano-3,4-Difluorobenzotrifluoride
  • 2-Cyano-3,4-difluorobenzonitrile
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