CAS 111376-39-7
:3-(3-oxopropyl)benzonitrile
Description:
3-(3-Oxopropyl)benzonitrile, identified by its CAS number 111376-39-7, is an organic compound characterized by the presence of a benzonitrile moiety and a propanoyl group. This compound features a benzene ring substituted with a nitrile group (-C≡N) and a propanoyl group at the meta position relative to the nitrile. The presence of the carbonyl group in the propanoyl side chain contributes to its reactivity and potential applications in organic synthesis. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its chemical structure suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. The nitrile functional group can participate in various chemical reactions, including nucleophilic additions and cycloadditions, making it a versatile building block in synthetic chemistry. Safety data should be consulted for handling and storage, as with all chemical substances, to ensure proper precautions are taken.
Formula:C10H9NO
InChI:InChI=1/C10H9NO/c11-8-10-4-1-3-9(7-10)5-2-6-12/h1,3-4,6-7H,2,5H2
SMILES:c1cc(CCC=O)cc(c1)C#N
Synonyms:- 3-(3-Oxopropyl)benzonitril
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