CAS 1261881-30-4

α-Hydroxy-2-methyl-3-nitrobenzeneacetic acid

Description:

α-Hydroxy-2-methyl-3-nitrobenzeneacetic acid, identified by its CAS number 1261881-30-4, is an organic compound characterized by the presence of both hydroxyl and nitro functional groups attached to a benzene ring. This compound features a carboxylic acid group, which contributes to its acidity and potential reactivity. The presence of the methyl group and the nitro group on the aromatic ring influences its electronic properties, making it a candidate for various chemical reactions, including electrophilic substitutions. The hydroxyl group enhances its solubility in polar solvents and can participate in hydrogen bonding, affecting its physical properties such as melting and boiling points. Additionally, the compound may exhibit biological activity, which could be of interest in pharmaceutical applications. Its structural features suggest potential uses in organic synthesis and as an intermediate in the production of more complex molecules. As with many nitro-substituted compounds, it is essential to handle this substance with care due to potential toxicity and environmental considerations.

Formula: C₉H₉NO₅

InChI: InChI=1S/C9H9NO5/c1-5-6(8(11)9(12)13)3-2-4-7(5)10(14)15/h2-4,8,11H,1H3,(H,12,13)

InChI key: InChIKey=JRYFQHAWGOSSBI-UHFFFAOYSA-N

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

Synonyms:

• α-Hydroxy-2-methyl-3-nitrobenzeneacetic acid
• Benzeneacetic acid, α-hydroxy-2-methyl-3-nitro-