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CAS 1260848-51-8

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

Description:
Benzoic acid, 4-amino-2-methyl-5-nitro-, methyl ester, identified by the CAS number 1260848-51-8, is an organic compound characterized by its functional groups and structural features. It contains a benzoic acid moiety with an amino group at the para position, a methyl group at the ortho position, and a nitro group at the meta position relative to the carboxylic acid. The presence of the methyl ester indicates that the carboxylic acid is esterified with methanol. This compound is likely to exhibit moderate solubility in organic solvents due to its aromatic structure, while its polar functional groups may enhance solubility in polar solvents. The nitro group contributes to its potential reactivity and may influence its electronic properties. Additionally, the amino group can participate in hydrogen bonding, affecting its physical properties and interactions with other molecules. Overall, this compound may have applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis, although specific applications would depend on further research and characterization.
Formula:C9H10N2O4
InChI:InChI=1S/C9H10N2O4/c1-5-3-7(10)8(11(13)14)4-6(5)9(12)15-2/h3-4H,10H2,1-2H3
InChI key:InChIKey=JWLVSMLOEYNNHO-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(N(=O)=O)=C(N)C=C1C
Synonyms:
  • Methyl 4-amino-2-methyl-5-nitrobenzoate
  • Benzoic acid, 4-amino-2-methyl-5-nitro-, methyl ester
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