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CAS 71682-94-5

:

3-oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile

Description:
3-Oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile, with the CAS number 71682-94-5, is an organic compound characterized by its functional groups and structural features. It contains a nitrile group (-C≡N) and a ketone group (C=O), which contribute to its reactivity and potential applications in organic synthesis. The presence of a trifluoromethyl group (-CF3) on the phenyl ring enhances its lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in chemical synthesis. The trifluoromethyl substituent can also impart unique electronic properties, affecting the compound's reactivity and interaction with biological targets. Safety data should be consulted for handling and storage, as compounds with nitrile and trifluoromethyl groups can pose health risks.
Formula:C10H6F3NO
InChI:InChI=1/C10H6F3NO/c11-10(12,13)8-3-1-7(2-4-8)9(15)5-6-14/h1-4H,5H2
SMILES:c1cc(ccc1C(=O)CC#N)C(F)(F)F
Synonyms:
  • 3-Oxo-3-[4-(trifluoromethyl)phenyl]propionitrile
  • 4-(Trifluoromethyl)benzoylacetonitrile
  • Benzenepropanenitrile, Beta-Oxo-4-(Trifluoromethyl)-
  • beta-Oxo-4-(trifluoromethyl)benzenepropanenitrile
  • Nc1Vr Dxfff
  • 3-OXO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE
  • b-Oxo-4-(trifluoroMethyl)-benzenepropanenitrile
  • Benzenepropanenitrile, β-oxo-4-(trifluoromethyl)-
  • 3-Oxo-3-[4-(trifluoromethyl)phenyl]propanenitrile, 3-Oxo-3-[4-(trifluoromethyl)phenyl]propionitrile
  • Benzenepropanenitrile, b-oxo-4-(trifluoromethyl)-
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