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CAS 20587-30-8

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

Description:
Benzoic acid, 5-methyl-2-nitro-, methyl ester, with the CAS number 20587-30-8, is an organic compound that belongs to the class of benzoic acid derivatives. It features a benzoic acid core substituted with a methyl group at the 5-position and a nitro group at the 2-position, along with a methyl ester functional group. This compound is typically a solid at room temperature and is characterized by its aromatic structure, which contributes to its stability and reactivity. The presence of the nitro group introduces polar characteristics, enhancing its solubility in polar solvents. Benzoic acid derivatives are often used in various applications, including as intermediates in organic synthesis, in pharmaceuticals, and as flavoring agents. The compound may exhibit biological activity, making it of interest in medicinal chemistry. Safety data should be consulted for handling and potential hazards, as nitro compounds can be sensitive and may pose environmental risks. Overall, this compound exemplifies the diverse chemistry of substituted benzoic acids.
Formula:C9H9NO4
InChI:InChI=1S/C9H9NO4/c1-6-3-4-8(10(12)13)7(5-6)9(11)14-2/h3-5H,1-2H3
InChI key:InChIKey=KFOICDVZQKFCGM-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(N(=O)=O)C=CC(C)=C1
Synonyms:
  • 5-Methyl-2-nitrobenzoic acid methyl ester
  • Methyl 5-methyl-2-nitrobenzoate
  • Methyl 6-nitro-m-toluate
  • Benzoic acid, 5-methyl-2-nitro-, methyl ester
  • m-Toluic acid, 6-nitro-, methyl ester
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