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CAS 886500-97-6

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4-Chloro-3-(trifluoromethoxy)benzeneacetonitrile

Description:
4-Chloro-3-(trifluoromethoxy)benzeneacetonitrile, with the CAS number 886500-97-6, is an organic compound characterized by its aromatic structure and the presence of both a chloro and a trifluoromethoxy group. This compound features a benzene ring substituted with a chlorine atom at the para position and a trifluoromethoxy group at the meta position, along with an acetonitrile functional group. The trifluoromethoxy group contributes to the compound's unique electronic properties, potentially enhancing its reactivity and solubility in various solvents. The presence of the cyano group (acetonitrile) adds to its polar character, making it useful in various chemical applications, including as an intermediate in organic synthesis. Additionally, the compound may exhibit interesting biological activities due to its structural features, making it a subject of interest in medicinal chemistry. Safety and handling precautions should be observed, as halogenated compounds can pose environmental and health risks.
Formula:C9H5ClF3NO
InChI:InChI=1S/C9H5ClF3NO/c10-7-2-1-6(3-4-14)5-8(7)15-9(11,12)13/h1-2,5H,3H2
InChI key:InChIKey=KXNXYHHQHHZITA-UHFFFAOYSA-N
SMILES:O(C(F)(F)F)C1=CC(CC#N)=CC=C1Cl
Synonyms:
  • 4-Chloro-3-(trifluoromethoxy)benzeneacetonitrile
  • 2-[4-Chloro-3-(trifluoromethoxy)phenyl]acetonitrile
  • Benzeneacetonitrile, 4-chloro-3-(trifluoromethoxy)-
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