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CAS 898767-60-7

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3-(4-cyanobutanoyl)benzonitrile

Description:
3-(4-Cyanobutanoyl)benzonitrile is an organic compound characterized by its structure, which includes a benzonitrile moiety and a cyanobutanoyl group. This compound features a benzene ring substituted with a nitrile group (–C≡N) and a butanoyl chain that contains a cyano group (–C≡N) at the fourth position. The presence of both the nitrile and the cyanobutanoyl functionalities suggests that it may exhibit interesting chemical reactivity, including potential for nucleophilic addition or substitution reactions. The compound is likely to be a solid at room temperature, given its structural characteristics, and may have applications in organic synthesis or as an intermediate in the production of pharmaceuticals or agrochemicals. Its solubility profile would depend on the polarity of the solvent, with potential solubility in polar organic solvents. Additionally, the presence of cyano groups may impart specific electronic properties, making it useful in materials science or as a building block in the synthesis of more complex molecules. Safety data and handling precautions should be consulted due to the potential toxicity associated with nitrile compounds.
Formula:C12H10N2O
InChI:InChI=1/C12H10N2O/c13-7-2-1-6-12(15)11-5-3-4-10(8-11)9-14/h3-5,8H,1-2,6H2
SMILES:C(CC#N)CC(=O)c1cccc(c1)C#N
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