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CAS 21667-63-0

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3-Cyano-β-oxobenzenepropanenitrile

Description:
3-Cyano-β-oxobenzenepropanenitrile, also known by its CAS number 21667-63-0, is an organic compound characterized by the presence of both cyano and ketone functional groups. This compound features a benzene ring substituted with a cyano group and a propanenitrile moiety, which contributes to its reactivity and potential applications in organic synthesis. It typically appears as a solid or liquid depending on the specific conditions, and its molecular structure allows for various chemical reactions, including nucleophilic additions and condensation reactions. The presence of the cyano group imparts significant polarity, making it soluble in polar solvents. This compound is of interest in the field of medicinal chemistry and materials science due to its potential as an intermediate in the synthesis of pharmaceuticals and agrochemicals. Safety data should be consulted for handling, as compounds with cyano groups can be toxic and require appropriate precautions during use. Overall, 3-Cyano-β-oxobenzenepropanenitrile is a versatile compound with notable chemical properties that facilitate its use in various synthetic applications.
Formula:C10H6N2O
InChI:InChI=1S/C10H6N2O/c11-5-4-10(13)9-3-1-2-8(6-9)7-12/h1-3,6H,4H2
InChI key:InChIKey=CWULKMSXLFIFKW-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1=CC(C#N)=CC=C1
Synonyms:
  • 3-(2-Cyanoacetyl)-Benzonitrile
  • 3-(2-Cyanoacetyl)Benzonirile
  • 3-Cyano-β-oxobenzenepropanenitrile
  • Benzenepropanenitrile, 3-cyano-β-oxo-
  • Benzonitrile, m-(cyanoacetyl)-
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