CAS 67294-54-6

1,3-Benzenedicarboxylic acid, 2-hydroxy-5-nitro-, 1,3-dimethyl ester

Description:

1,3-Benzenedicarboxylic acid, 2-hydroxy-5-nitro-, 1,3-dimethyl ester, commonly known as dimethyl 2-hydroxy-5-nitroterephthalate, is an organic compound characterized by its ester functional groups and nitro and hydroxy substituents on a benzene ring. This compound features two carboxylate groups that have been esterified with methyl groups, enhancing its solubility in organic solvents. The presence of the nitro group introduces electron-withdrawing characteristics, which can influence the compound's reactivity and stability. Typically, such compounds exhibit moderate to high melting points and are often crystalline solids at room temperature. They may also display moderate to low volatility. The hydroxy group can participate in hydrogen bonding, affecting the compound's solubility in polar solvents. This compound may find applications in organic synthesis, materials science, or as intermediates in the production of dyes and pharmaceuticals. Safety data should be consulted for handling and potential toxicity, as nitro compounds can be sensitive and may pose health risks.

Formula: C₁₀H₉NO₇

InChI: InChI=1S/C10H9NO7/c1-17-9(13)6-3-5(11(15)16)4-7(8(6)12)10(14)18-2/h3-4,12H,1-2H3

InChI key: InChIKey=OEVNARRUWJQFMK-UHFFFAOYSA-N

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

Synonyms:

• Dimethyl 2-hydroxy-5-nitroisophthalate
• 2-Hydroxy-5-nitro-isophthalic acid dimethyl ester
• 1,3-Dimethyl 2-hydroxy-5-nitrobenzene-1,3-dicarboxylate
• 1,3-Benzenedicarboxylic acid, 2-hydroxy-5-nitro-, dimethyl ester
• 1,3-Benzenedicarboxylic acid, 2-hydroxy-5-nitro-, 1,3-dimethyl ester