CAS 88166-76-1

4-(1,1-Dimethylethyl)-2,6-dimethylbenzonitrile

Description:

4-(1,1-Dimethylethyl)-2,6-dimethylbenzonitrile, with the CAS number 88166-76-1, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a cyano group (nitrile) and multiple alkyl groups. This compound features a tert-butyl group (1,1-dimethylethyl) and two methyl groups at specific positions on the benzene ring, contributing to its steric bulk and hydrophobic nature. It is typically a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. The presence of the cyano group imparts certain chemical reactivity, making it useful in various synthetic applications, including as an intermediate in organic synthesis. Additionally, its hydrophobic characteristics may influence its solubility in organic solvents while being less soluble in water. Safety data should be consulted for handling, as with many organic compounds, it may pose health risks if not managed properly. Overall, this compound is of interest in both industrial and research settings due to its unique structural features.

Formula: C₁₃H₁₇N

InChI: InChI=1S/C13H17N/c1-9-6-11(13(3,4)5)7-10(2)12(9)8-14/h6-7H,1-5H3

InChI key: InChIKey=OIOQMLCBUREXCF-UHFFFAOYSA-N

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

Synonyms:

• 2,6-Dimethyl-4-tert-butylbenzonitrile
• 4-(1,1-Dimethylethyl)-2,6-dimethylbenzonitrile
• 4-tert-Butyl-2,6-dimethyl-1-cyanobenzene
• 4-tert-Butyl-2,6-dimethylbenzonitrile
• Benzonitrile, 4-(1,1-dimethylethyl)-2,6-dimethyl-