CAS 37696-03-0

3-(2-Phenylethynyl)benzonitrile

Description:

3-(2-Phenylethynyl)benzonitrile, with the CAS number 37696-03-0, is an organic compound characterized by its distinct structural features. It consists of a benzonitrile core, which is a benzene ring substituted with a cyano group (-C≡N), and a phenylethynyl group attached at the meta position. This compound is typically a solid at room temperature and exhibits properties common to aromatic compounds, such as stability and potential for π-π stacking interactions. It is often utilized in organic synthesis and materials science, particularly in the development of organic light-emitting diodes (OLEDs) and other electronic materials due to its conjugated structure, which can facilitate charge transport. The presence of the cyano group also contributes to its electronic properties, making it a candidate for various applications in organic electronics. Additionally, its synthesis may involve reactions such as Sonogashira coupling, highlighting its relevance in modern synthetic organic chemistry. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₁₅H₉N

InChI: InChI=1S/C15H9N/c16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11H

InChI key: InChIKey=GDWRKTTYUZRBEW-UHFFFAOYSA-N

SMILES: C(#CC1=CC=CC=C1)C2=CC(C#N)=CC=C2

Synonyms:

• 3-(2-Phenylethynyl)benzonitrile
• 3-Phenylethynyl-benzonitrile
• Benzonitrile, 3-(phenylethynyl)-
• Benzonitrile, 3-(2-phenylethynyl)-