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CAS 1431329-62-2

:

4-Chloro-3-fluoro-5-(trifluoromethyl)benzeneacetonitrile

Description:
4-Chloro-3-fluoro-5-(trifluoromethyl)benzeneacetonitrile, with the CAS number 1431329-62-2, is an organic compound characterized by its complex structure featuring a benzene ring substituted with multiple halogen atoms and a nitrile functional group. The presence of chlorine and fluorine atoms contributes to its unique chemical properties, including increased electronegativity and potential reactivity. The trifluoromethyl group enhances the compound's lipophilicity and may influence its biological activity, making it of interest in pharmaceutical and agrochemical research. This compound is typically synthesized through halogenation and subsequent reactions involving nitriles. Its physical properties, such as boiling point, melting point, and solubility, are influenced by the electron-withdrawing effects of the halogen substituents. Additionally, the compound's stability and reactivity can be affected by the steric hindrance introduced by the trifluoromethyl group. Overall, 4-Chloro-3-fluoro-5-(trifluoromethyl)benzeneacetonitrile is a valuable compound in synthetic chemistry and material science, with potential applications in various fields.
Formula:C9H4ClF4N
InChI:InChI=1S/C9H4ClF4N/c10-8-6(9(12,13)14)3-5(1-2-15)4-7(8)11/h3-4H,1H2
InChI key:InChIKey=IZHBBSWOXUUPGQ-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(Cl)C(F)=CC(CC#N)=C1
Synonyms:
  • Benzeneacetonitrile, 4-chloro-3-fluoro-5-(trifluoromethyl)-
  • 4-Chloro-3-fluoro-5-(trifluoromethyl)benzeneacetonitrile
  • 4-Chloro-3-fluoro-5-(trifluoromethyl)phenylacetonitrile
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