CAS 72269-54-6

2-(1,1-Dimethylethyl)benzeneacetonitrile

Description:

2-(1,1-Dimethylethyl)benzeneacetonitrile, also known as a substituted benzene derivative, is characterized by its unique structure that includes a benzene ring substituted with a tert-butyl group and an acetonitrile functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its relatively low solubility in water but is soluble in organic solvents such as ethanol and acetone. The presence of the nitrile group contributes to its reactivity, making it useful in various organic synthesis applications. Additionally, the tert-butyl group enhances its steric bulk, which can influence its chemical reactivity and interactions with other molecules. This compound may exhibit moderate toxicity, and appropriate safety measures should be taken when handling it. Overall, 2-(1,1-Dimethylethyl)benzeneacetonitrile is of interest in both industrial and research settings due to its unique properties and potential applications in organic chemistry.

Formula: C₁₂H₁₅N

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

InChI key: InChIKey=QCOBYVFHJPONNS-UHFFFAOYSA-N

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

Synonyms:

• Benzeneacetonitrile, 2-(1,1-dimethylethyl)-
• 2-(2-tert-Butylphenyl)acetonitrile
• 2-tert.-Butyl-benzylcyanid
• 2-(1,1-Dimethylethyl)benzeneacetonitrile
• Acetonitrile, (o-tert-butylphenyl)-