CAS 1000535-85-2

4-Cyano-3-methylbenzeneacetonitrile

Description:

4-Cyano-3-methylbenzeneacetonitrile, also known by its CAS number 1000535-85-2, is an organic compound characterized by the presence of both cyano and acetonitrile functional groups attached to a benzene ring. This compound features a methyl group at the 3-position and a cyano group at the 4-position of the benzene ring, contributing to its unique chemical properties. 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 significant polarity, making it a useful intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Additionally, the compound may exhibit moderate solubility in polar organic solvents, while its stability can be influenced by environmental factors such as temperature and pH. Safety data indicates that it should be handled with care due to potential toxicity and reactivity, particularly in the presence of strong acids or bases. Overall, 4-Cyano-3-methylbenzeneacetonitrile is a valuable compound in synthetic organic chemistry.

Formula: C₁₀H₈N₂

InChI: InChI=1S/C10H8N2/c1-8-6-9(4-5-11)2-3-10(8)7-12/h2-3,6H,4H2,1H3

InChI key: InChIKey=IETDNLOYBICVLE-UHFFFAOYSA-N

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

Synonyms:

• 4-Cyano-3-methylbenzeneacetonitrile
• Benzeneacetonitrile, 4-cyano-3-methyl-