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CAS 886496-95-3

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3-Chloro-5-(trifluoromethyl)benzeneacetonitrile

Description:
3-Chloro-5-(trifluoromethyl)benzeneacetonitrile, with the CAS number 886496-95-3, is an organic compound characterized by its aromatic structure and the presence of both a chloro and a trifluoromethyl group. This compound features a benzene ring substituted at the 3-position with a chlorine atom and at the 5-position with a trifluoromethyl group, along with an acetonitrile functional group. The trifluoromethyl group is known for imparting unique electronic properties, enhancing the compound's lipophilicity and potentially influencing its reactivity and biological activity. The presence of the acetonitrile moiety contributes to its polar characteristics, which can affect solubility in various solvents. This compound may be of interest in pharmaceutical research and development due to its potential applications in medicinal chemistry. Its synthesis and reactivity can be influenced by the electron-withdrawing effects of the trifluoromethyl and chloro substituents, making it a valuable target for further chemical exploration.
Formula:C9H5ClF3N
InChI:InChI=1S/C9H5ClF3N/c10-8-4-6(1-2-14)3-7(5-8)9(11,12)13/h3-5H,1H2
InChI key:InChIKey=OGYGRYBLLSUSDE-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=CC(CC#N)=CC(Cl)=C1
Synonyms:
  • 2-[3-Chloro-5-(trifluoromethyl)phenyl]acetonitrile
  • 3-Chloro-5-(trifluoromethyl)benzeneacetonitrile
  • 3-Chloro-5-(trifluoromethyl)phenylacetonitrile
  • Benzeneacetonitrile, 3-chloro-5-(trifluoromethyl)-
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