CAS 1202858-67-0

Benzoic acid, 2-bromo-4-methyl-5-nitro-, methyl ester

Description:

Benzoic acid, 2-bromo-4-methyl-5-nitro-, methyl ester, identified by its CAS number 1202858-67-0, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety modified by various substituents. The presence of a bromine atom at the 2-position, a methyl group at the 4-position, and a nitro group at the 5-position on the benzene ring contributes to its unique chemical properties and reactivity. As a methyl ester, it features a methoxy group (-OCH3) that enhances its solubility in organic solvents. This compound may exhibit polar characteristics due to the nitro group, which can influence its interactions in chemical reactions and biological systems. Its potential applications could span various fields, including pharmaceuticals and agrochemicals, where such derivatives are often explored for their biological activity. Safety and handling considerations are essential, as with many halogenated and nitro-substituted compounds, due to potential toxicity and environmental impact.

Formula: C₉H₈BrNO₄

InChI: InChI=1S/C9H8BrNO4/c1-5-3-7(10)6(9(12)15-2)4-8(5)11(13)14/h3-4H,1-2H3

InChI key: InChIKey=MAXILNCXDUTLSP-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC(N(=O)=O)=C(C)C=C1Br

Synonyms:

• Benzoic acid, 2-bromo-4-methyl-5-nitro-, methyl ester
• Methyl 2-bromo-4-methyl-5-nitrobenzoate