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CAS 64399-24-2

:

4-(Methylthio)-3-nitrobenzoic acid

Description:
4-(Methylthio)-3-nitrobenzoic acid, with the CAS number 64399-24-2, is an organic compound characterized by the presence of a benzoic acid structure substituted with a methylthio group and a nitro group. This compound typically exhibits a yellow crystalline appearance and is soluble in organic solvents, while its solubility in water may be limited. The methylthio group (-S-CH3) contributes to its unique chemical properties, including potential reactivity in nucleophilic substitution reactions. The nitro group (-NO2) is known for its electron-withdrawing effects, which can influence the acidity of the carboxylic acid functional group, making it a stronger acid compared to unsubstituted benzoic acid. This compound may be utilized in various applications, including organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals. Safety considerations should be taken into account, as nitro compounds can be hazardous and require proper handling and storage.
Formula:C8H7NO4S
InChI:InChI=1S/C8H7NO4S/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)
InChI key:InChIKey=BPZVSOOQLVSCDF-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(SC)C=CC(C(O)=O)=C1
Synonyms:
  • 3-Nitro-4-methylthiobenzoic acid
  • 4-Methylsulfanyl-3-nitrobenzoic acid
  • 4-(Methylthio)-3-nitrobenzoic acid
  • Benzoic acid, 4-(methylthio)-3-nitro-
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