CAS 1261079-63-3

4-Fluoro-5-methyl-2-nitrobenzeneacetic acid

Description:

4-Fluoro-5-methyl-2-nitrobenzeneacetic acid is an aromatic compound characterized by the presence of a fluorine atom, a methyl group, and a nitro group attached to a benzene ring, along with an acetic acid functional group. This compound typically exhibits a yellow to brownish color and is likely to be a solid at room temperature. Its molecular structure suggests it may have moderate polarity due to the presence of the carboxylic acid group, which can engage in hydrogen bonding. The nitro group contributes to its electron-withdrawing properties, potentially influencing its reactivity and solubility in various solvents. This compound may be of interest in pharmaceutical research or organic synthesis due to its unique functional groups, which can participate in various chemical reactions. Safety data should be consulted for handling, as nitro compounds can be sensitive and may pose health risks. Overall, 4-Fluoro-5-methyl-2-nitrobenzeneacetic acid represents a complex molecule with potential applications in chemical synthesis and research.

Formula: C₉H₈FNO₄

InChI: InChI=1S/C9H8FNO4/c1-5-2-6(3-9(12)13)8(11(14)15)4-7(5)10/h2,4H,3H2,1H3,(H,12,13)

InChI key: InChIKey=LVSYQTSSCMAZMC-UHFFFAOYSA-N

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

Synonyms:

• Benzeneacetic acid, 4-fluoro-5-methyl-2-nitro-
• 4-Fluoro-5-methyl-2-nitrobenzeneacetic acid