CAS 1261573-50-5

2-(Hydroxymethyl)-6-methylbenzonitrile

Description:

2-(Hydroxymethyl)-6-methylbenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a hydroxymethyl group and a nitrile group. The presence of the hydroxymethyl (-CH2OH) group indicates that it can participate in hydrogen bonding, potentially affecting its solubility and reactivity. The methyl group at the 6-position contributes to the compound's hydrophobic characteristics and can influence its electronic properties. As a nitrile, the compound features a cyano group (-C≡N), which is known for its polar nature and ability to participate in various chemical reactions, including nucleophilic additions. This compound may be of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its functional groups that can be modified or reacted further. Its physical properties, such as melting point, boiling point, and solubility, would depend on the specific molecular interactions and the environment in which it is studied.

Formula: C₉H₉NO

InChI: InChI=1S/C9H9NO/c1-7-3-2-4-8(6-11)9(7)5-10/h2-4,11H,6H2,1H3

InChI key: InChIKey=NQIFUJCHWAUTCO-UHFFFAOYSA-N

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

Synonyms:

• 2-(Hydroxymethyl)-6-methylbenzonitrile
• Benzonitrile, 2-(hydroxymethyl)-6-methyl-