CAS 84603-14-5

3-(1,1-Dimethylethyl)benzeneacetonitrile

Description:

3-(1,1-Dimethylethyl)benzeneacetonitrile, also known by its CAS number 84603-14-5, is an organic compound characterized by its structure, which features a benzene ring substituted with a tert-butyl group and a nitrile functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on the temperature and purity. It is known for its relatively low volatility and moderate solubility in organic solvents, making it useful in various chemical applications. The presence of the nitrile group imparts certain reactivity, allowing it to participate in nucleophilic addition reactions and other transformations. Additionally, the tert-butyl substituent contributes to steric hindrance, which can influence the compound's reactivity and interactions with other molecules. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure. Overall, 3-(1,1-Dimethylethyl)benzeneacetonitrile is a valuable compound in organic synthesis and industrial applications.

Formula: C₁₂H₁₅N

InChI: InChI=1S/C12H15N/c1-12(2,3)11-6-4-5-10(9-11)7-8-13/h4-6,9H,7H2,1-3H3

InChI key: InChIKey=MTMAASUQMKRKKW-UHFFFAOYSA-N

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

Synonyms:

• 2-(3-(tert-Butyl)phenyl)acetonitrile
• 2-(3-tert-Butylphenyl)acetonitrile
• Benzeneacetonitrile, 3-(1,1-dimethylethyl)-
• 3-(1,1-Dimethylethyl)benzeneacetonitrile