CAS 898792-08-0

2-(Cyclohexylcarbonyl)benzonitrile

Description:

2-(Cyclohexylcarbonyl)benzonitrile, identified by its CAS number 898792-08-0, is an organic compound characterized by the presence of both a benzonitrile and a cyclohexylcarbonyl group. This compound features a cyano group (-C≡N) attached to a benzene ring, which contributes to its aromatic properties and potential reactivity. The cyclohexylcarbonyl moiety introduces a cyclic aliphatic structure, enhancing the compound's steric and electronic characteristics. Typically, compounds of this nature exhibit moderate to high lipophilicity due to the presence of the cyclohexyl group, which can influence solubility in organic solvents. The presence of the cyano group may also impart unique chemical reactivity, making it a potential candidate for various synthetic applications, including in pharmaceuticals or agrochemicals. Additionally, the compound's stability and reactivity can be influenced by factors such as temperature and the presence of other functional groups in a reaction environment. Overall, 2-(Cyclohexylcarbonyl)benzonitrile is a versatile compound with potential applications in organic synthesis and materials science.

Formula: C₁₄H₁₅NO

InChI: InChI=1/C14H15NO/c15-10-12-8-4-5-9-13(12)14(16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7H2

InChI key: InChIKey=CMKDXXFUHQRPIQ-UHFFFAOYSA-N

SMILES: C(=O)(C1=C(C#N)C=CC=C1)C2CCCCC2

Synonyms:

• Benzonitrile, 2-(cyclohexylcarbonyl)-
• 2-(Cyclohexylcarbonyl)benzonitrile