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CAS 40018-10-8

:

3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile

Description:
3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile, with the CAS number 40018-10-8, is an organic compound characterized by its functional groups, including a ketone and a nitrile. The presence of the trifluoromethyl group (-CF3) on the phenyl ring significantly influences its chemical properties, enhancing its lipophilicity and potentially affecting its reactivity and biological activity. This compound typically appears as a solid or liquid, depending on the specific conditions, and is known for its stability under standard conditions. Its molecular structure suggests it may participate in various chemical reactions, including nucleophilic additions and substitutions, due to the electrophilic nature of the carbonyl group and the nitrile functionality. Additionally, the trifluoromethyl group can impart unique electronic properties, making it of interest in medicinal chemistry and material science. Safety data should be consulted for handling, as compounds with trifluoromethyl groups can exhibit toxicity or environmental concerns. Overall, 3-oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile is a versatile compound with potential applications in various fields.
Formula:C10H6F3NO
InChI:InChI=1/C10H6F3NO/c11-10(12,13)8-4-2-1-3-7(8)9(15)5-6-14/h1-4H,5H2
SMILES:c1ccc(c(c1)C(=O)CC#N)C(F)(F)F
Synonyms:
  • Benzenepropanenitrile, Β-Oxo-2-(Trifluoromethyl)-
  • 3-Oxo-3-[2-(trifluoromethyl)phenyl]propanenitrile
  • 2-TRIFLUOROMETHYLBENZOYLACETONITRILE
  • b-Oxo-2-(trifluoromethyl)-benzenepropanenitrile
  • 2-TRIFUOROMETHYLBENZOYLACETONITRILE
  • 3-Oxo-3-(2-trifluoromethyl-phenyl)-propionitrile
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