CAS 91192-26-6

5-Methyl-2-nitrobenzeneacetonitrile

Description:

5-Methyl-2-nitrobenzeneacetonitrile, with the CAS number 91192-26-6, is an organic compound characterized by its aromatic structure, which includes a nitro group and a nitrile functional group. This compound features a methyl group attached to the benzene ring, contributing to its unique chemical properties. It is typically a yellow to brown solid at room temperature and is soluble in organic solvents. The presence of the nitro group imparts significant reactivity, making it useful in various chemical syntheses, particularly in the production of pharmaceuticals and agrochemicals. The nitrile group enhances its polarity and can participate in nucleophilic reactions. Safety data indicates that it should be handled with care, as it may pose health risks if inhaled or ingested, and appropriate protective measures should be taken during handling. Overall, 5-Methyl-2-nitrobenzeneacetonitrile is a valuable compound in organic synthesis, with applications in research and industry.

Formula: C₉H₈N₂O₂

InChI: InChI=1S/C9H8N2O2/c1-7-2-3-9(11(12)13)8(6-7)4-5-10/h2-3,6H,4H2,1H3

InChI key: InChIKey=HTFMPKGLRJBOEF-UHFFFAOYSA-N

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

Synonyms:

• Acetonitrile, (6-nitro-m-tolyl)-
• 2-(5-Methyl-2-nitrophenyl)acetonitrile
• 5-Methyl-2-nitrobenzeneacetonitrile
• Benzeneacetonitrile, 5-methyl-2-nitro-