CAS 73013-48-6

2-(2-Oxopropyl)benzonitrile

Description:

2-(2-Oxopropyl)benzonitrile, identified by its CAS number 73013-48-6, is an organic compound characterized by the presence of a benzonitrile moiety and a ketone functional group. This compound features a propan-2-one (or acetone) substituent attached to the benzene ring, which contributes to its chemical reactivity and potential applications in organic synthesis. The nitrile group (-C≡N) imparts notable properties, including increased polarity and the ability to participate in nucleophilic reactions. Typically, compounds like 2-(2-Oxopropyl)benzonitrile are utilized in various chemical syntheses, including the production of pharmaceuticals and agrochemicals. Its physical properties, such as melting point, boiling point, and solubility, can vary based on the specific conditions and purity of the substance. Safety data should be consulted to understand its handling and potential hazards, as compounds containing nitriles can be toxic and require appropriate safety measures during use. Overall, this compound exemplifies the diverse functionalities found in organic chemistry, making it a valuable substance for research and industrial applications.

Formula: C₁₀H₉NO

InChI: InChI=1S/C10H9NO/c1-8(12)6-9-4-2-3-5-10(9)7-11/h2-5H,6H2,1H3

InChI key: InChIKey=IBBZXXNFIDTUNC-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 2-(2-oxopropyl)-
• (o-Cyano-phenyl) acetone
• 2-(2-Oxopropyl)benzonitrile