CAS 890098-79-0

2-(4-Iodobenzoyl)benzonitrile

Description:

2-(4-Iodobenzoyl)benzonitrile is an organic compound characterized by its structure, which includes a benzonitrile moiety and an iodobenzoyl group. This compound features a benzene ring substituted with a cyano group (-C≡N) and another benzene ring that is further substituted with an iodine atom and a carbonyl group (part of a benzoyl group). The presence of the iodine atom contributes to its potential reactivity and may influence its physical properties, such as solubility and melting point. The compound is typically used in organic synthesis and may serve as an intermediate in the preparation of other chemical entities. Its molecular structure suggests it may exhibit interesting electronic properties due to the presence of the electron-withdrawing cyano and carbonyl groups, which can affect its reactivity in various chemical reactions. Additionally, the compound may have applications in materials science or medicinal chemistry, depending on its specific interactions and properties. Safety data should be consulted for handling and usage, as halogenated compounds can pose health risks.

Formula: C₁₄H₈INO

InChI: InChI=1S/C14H8INO/c15-12-7-5-10(6-8-12)14(17)13-4-2-1-3-11(13)9-16/h1-8H

InChI key: InChIKey=AKTKDGLWZCLYHY-UHFFFAOYSA-N

SMILES: C(=O)(C1=C(C#N)C=CC=C1)C2=CC=C(I)C=C2

Synonyms:

• Benzonitrile, 2-(4-iodobenzoyl)-
• 2-(4-Iodobenzoyl)benzonitrile