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CAS 447-60-9

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2-(Trifluoromethyl)benzonitrile

Description:
2-(Trifluoromethyl)benzonitrile, with the CAS number 447-60-9, is an organic compound characterized by the presence of a trifluoromethyl group (-CF3) attached to a benzene ring that is also substituted with a nitrile group (-C≡N). This compound typically appears as a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its relatively low volatility and high stability, making it useful in various chemical applications. The trifluoromethyl group imparts unique electronic properties, enhancing the compound's lipophilicity and potentially influencing its reactivity and interaction with biological systems. 2-(Trifluoromethyl)benzonitrile is often utilized in the synthesis of pharmaceuticals and agrochemicals, as well as in materials science for developing advanced materials. Its properties, including solubility in organic solvents and resistance to hydrolysis, make it a valuable intermediate in organic synthesis. Safety precautions should be observed when handling this compound, as it may pose health risks if inhaled or ingested.
Formula:C8H4F3N
InChI:InChI=1S/C8H4F3N/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4H
InChI key:InChIKey=SOZGHDCEWOLLHV-UHFFFAOYSA-N
SMILES:C(#N)C1=C(C(F)(F)F)C=CC=C1
Synonyms:
  • 2-Cyanobenzotrifluoride
  • Benzonitrile, 2-(trifluoromethyl)-
  • NSC 88312
  • alpha,alpha,alpha-Trifluoro-o-tolunitrile
  • o-(Trifluoromethyl)benzonitrile
  • o-(Trifluoromethyl)cyanobenzene
  • o-Cyanobenzotrifluoride
  • o-Tolunitrile, α,α,α-trifluoro-
  • o-Trifluoromethylbenzonitrile
  • α,α,α-Trifluoro-o-tolunitrile
  • See more synonyms
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