CAS 78025-94-2

3,5-Dimethoxy-4-methylbenzonitrile

Description:

3,5-Dimethoxy-4-methylbenzonitrile, with the CAS number 78025-94-2, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with two methoxy groups and a methyl group, along with a nitrile functional group. This compound typically appears as a solid at room temperature and is known for its relatively low solubility in water, while being more soluble in organic solvents such as ethanol and dichloromethane. The presence of the nitrile group contributes to its polar characteristics, influencing its reactivity and interaction with other chemical species. 3,5-Dimethoxy-4-methylbenzonitrile may be utilized in various chemical syntheses and research applications, particularly in the fields of medicinal chemistry and organic synthesis. Its unique substitution pattern can affect its electronic properties, making it a subject of interest in studies related to drug design and development. Safety data should be consulted for handling and storage, as with any chemical substance.

Formula: C₁₀H₁₁NO₂

InChI: InChI=1S/C10H11NO2/c1-7-9(12-2)4-8(6-11)5-10(7)13-3/h4-5H,1-3H3

InChI key: InChIKey=HFHIBMHYRZVGJA-UHFFFAOYSA-N

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

Synonyms:

• p-Tolunitrile, 3,5-dimethoxy-
• Benzonitrile, 3,5-dimethoxy-4-methyl-
• 4-Cyano-2,6-dimethoxytoluene
• 3,5-Dimethoxy-4-methylbenzonitrile