CAS 898792-14-8

4-(Cyclohexylcarbonyl)benzonitrile

Description:

4-(Cyclohexylcarbonyl)benzonitrile, with the CAS number 898792-14-8, is an organic compound characterized by its structural features, which include a benzonitrile moiety substituted with a cyclohexylcarbonyl group. This compound typically exhibits a solid state at room temperature and is likely to be a white to off-white crystalline substance. The presence of the nitrile functional group (-C≡N) contributes to its polarity and potential reactivity, while the cyclohexylcarbonyl group can influence its solubility and interaction with other molecules. The compound may have applications in organic synthesis, pharmaceuticals, or materials science, depending on its specific properties such as melting point, boiling point, and solubility in various solvents. Additionally, its chemical behavior can be influenced by the steric and electronic effects of the cyclohexyl group, making it a subject of interest in studies related to molecular interactions and reactivity patterns. Safety data and handling precautions should be consulted, as with any chemical substance, to ensure proper use and management in laboratory settings.

Formula: C₁₄H₁₅NO

InChI: InChI=1S/C14H15NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h6-9,12H,1-5H2

InChI key: InChIKey=PJPMXOBAIYBRRR-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 4-(cyclohexylcarbonyl)-
• 4-(Cyclohexylcarbonyl)benzonitrile