CAS 93981-80-7

4-(1,1-Dimethylethyl)-α-methylbenzenepropanenitrile

Description:

4-(1,1-Dimethylethyl)-α-methylbenzenepropanenitrile, also known by its CAS number 93981-80-7, is an organic compound characterized by its complex structure, which includes a nitrile functional group and a branched alkyl substituent. This compound features a propanenitrile backbone with a tert-butyl group (1,1-dimethylethyl) and an α-methylbenzene moiety, contributing to its unique chemical properties. It is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. The presence of the nitrile group imparts polar characteristics, making it soluble in polar solvents while being less soluble in non-polar solvents. This compound may exhibit moderate volatility and can participate in various chemical reactions, including nucleophilic additions and substitutions due to the reactive nature of the nitrile group. Its applications may span across organic synthesis, pharmaceuticals, and agrochemicals, although specific uses can vary based on regulatory status and research developments. Safety data should be consulted for handling and exposure guidelines.

Formula: C₁₄H₁₉N

InChI: InChI=1S/C14H19N/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,11H,9H2,1-4H3

InChI key: InChIKey=IJCFINYXARJUNJ-UHFFFAOYSA-N

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

Synonyms:

• Benzenepropanenitrile, 4-(1,1-dimethylethyl)-α-methyl-
• 4-(1,1-Dimethylethyl)-α-methylbenzenepropanenitrile