CAS 1263413-39-3

3-(Methylamino)-2-nitrobenzonitrile

Description:

3-(Methylamino)-2-nitrobenzonitrile is an organic compound characterized by its aromatic structure, which includes a nitro group and a methylamino group attached to a benzene ring. The presence of the nitrile functional group (-C≡N) indicates that it has a carbon atom triple-bonded to a nitrogen atom, contributing to its reactivity and potential applications in organic synthesis. The methylamino group (-NH(CH3)-) suggests that the compound can participate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. This compound is likely to be a solid at room temperature, with moderate solubility in polar organic solvents due to the presence of both polar and nonpolar functional groups. Its chemical properties may include the ability to undergo reduction, nitration, or coupling reactions, making it of interest in pharmaceutical and agrochemical research. Safety data should be consulted for handling, as compounds with nitro and nitrile groups can exhibit toxicity and require appropriate safety measures.

Formula: C₈H₇N₃O₂

InChI: InChI=1S/C8H7N3O2/c1-10-7-4-2-3-6(5-9)8(7)11(12)13/h2-4,10H,1H3

InChI key: InChIKey=VJDDNYMZVZBOED-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C#N)C=CC=C1NC

Synonyms:

• Benzonitrile, 3-(methylamino)-2-nitro-
• 3-(Methylamino)-2-nitrobenzonitrile