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CAS 22902-81-4

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[2-chloro-3-(trifluoromethyl)phenyl]acetonitrile

Description:
[2-chloro-3-(trifluoromethyl)phenyl]acetonitrile, with the CAS number 22902-81-4, is an organic compound characterized by its unique functional groups and structural features. It contains a phenyl ring substituted with a chlorine atom and a trifluoromethyl group, which significantly influences its chemical reactivity and physical properties. The presence of the acetonitrile group introduces a nitrile functional group, contributing to its polarity and potential for hydrogen bonding. This compound is typically a colorless to pale yellow liquid or solid, depending on temperature and purity. It is known for its applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to participate in various chemical reactions, such as nucleophilic substitutions and coupling reactions. Additionally, the trifluoromethyl group enhances its lipophilicity and metabolic stability, making it a valuable building block in medicinal chemistry. Safety precautions should be observed when handling this compound, as it may pose health risks if inhaled or ingested.
Formula:C9H5ClF3N
InChI:InChI=1/C9H5ClF3N/c10-8-6(4-5-14)2-1-3-7(8)9(11,12)13/h1-3H,4H2
SMILES:c1cc(CC#N)c(c(c1)C(F)(F)F)Cl
Synonyms:
  • 22902-81-4
  • Benzeneacetonitrile, 2-Chloro-3-(Trifluoromethyl)-
  • Nc1R Bg Cxfff
  • [2-Chloro-3-(trifluoromethyl)phenyl]acetonitrile
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