CAS 1082042-32-7

Benzoic acid, 5-methoxy-2-methyl-3-nitro-, methyl ester

Description:

Benzoic acid, 5-methoxy-2-methyl-3-nitro-, methyl ester, identified by its CAS number 1082042-32-7, is an organic compound characterized by its aromatic structure and functional groups. This compound features a benzoic acid core with a methoxy group (-OCH3) and a nitro group (-NO2) attached to the aromatic ring, along with a methyl ester functional group (-COOCH3). The presence of the methoxy and nitro substituents influences its chemical reactivity and polarity, making it a potential candidate for various applications in organic synthesis and pharmaceuticals. Typically, compounds of this nature exhibit moderate solubility in organic solvents and may have limited solubility in water due to their hydrophobic aromatic structure. The nitro group can impart additional reactivity, making it useful in further chemical transformations. Safety data should be consulted for handling and storage, as nitro compounds can be sensitive to heat and shock. Overall, this compound exemplifies the complexity and versatility of substituted benzoic acids in chemical research and applications.

Formula: C₁₀H₁₁NO₅

InChI: InChI=1S/C10H11NO5/c1-6-8(10(12)16-3)4-7(15-2)5-9(6)11(13)14/h4-5H,1-3H3

InChI key: InChIKey=VWJLNIWFAYDRTF-UHFFFAOYSA-N

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

Synonyms:

• Methyl 5-methoxy-2-methyl-3-nitrobenzoate
• Benzoic acid, 5-methoxy-2-methyl-3-nitro-, methyl ester
• 2-Methyl-5-methoxy-3-nitrobenzoic acid methyl ester