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CAS 5471-82-9

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

Description:
Benzoic acid, 3-methyl-2-nitro-, methyl ester, with the CAS number 5471-82-9, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a methyl group and a nitro group attached to the benzene ring, specifically at the 3 and 2 positions, respectively. The presence of the nitro group contributes to its reactivity and potential applications in organic synthesis. Typically, this compound appears as a crystalline solid and is soluble in organic solvents. Its chemical structure suggests it may exhibit properties such as moderate polarity and potential for hydrogen bonding due to the carboxylate nature of the ester. Benzoic acid derivatives are often studied for their antimicrobial properties and use in various chemical reactions, including as intermediates in the synthesis of pharmaceuticals and agrochemicals. Safety data should be consulted for handling and storage, as nitro compounds can be sensitive to heat and shock.
Formula:C9H9NO4
InChI:InChI=1S/C9H9NO4/c1-6-4-3-5-7(9(11)14-2)8(6)10(12)13/h3-5H,1-2H3
InChI key:InChIKey=NJHDBIXFFZVJGZ-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(N(=O)=O)C(C)=CC=C1
Synonyms:
  • 2-Nitro-3-methylbenzoic acid, methyl ester
  • 3-Methyl-2-nitrobenzoic acid methyl ester
  • Benzoic acid, 3-methyl-2-nitro-, methyl ester
  • Methyl2-Nitro-3-Methylbenzoate
  • Nsc 28461
  • m-Toluic acid, 2-nitro-, methyl ester
  • Methyl 3-methyl-2-nitrobenzoate
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