CAS 70290-38-9

2-(Methylthio)-5-nitrobenzoic acid

Description:

2-(Methylthio)-5-nitrobenzoic acid, with the CAS number 70290-38-9, is an organic compound characterized by the presence of a benzoic acid structure substituted with both a methylthio group and a nitro group. The methylthio group (-S-CH3) is attached to the benzene ring, enhancing the compound's nucleophilicity and influencing its reactivity. The nitro group (-NO2) is a strong electron-withdrawing group, which can significantly affect the compound's acidity and overall chemical behavior. This compound typically appears as a solid at room temperature and is soluble in organic solvents. Its unique functional groups suggest potential applications in organic synthesis, pharmaceuticals, and agrochemicals. The presence of both electron-donating and electron-withdrawing groups allows for interesting electronic properties, making it a subject of study in various chemical reactions. Safety data should be consulted for handling, as compounds with nitro groups can exhibit explosive properties under certain conditions.

Formula: C₈H₇NO₄S

InChI: InChI=1S/C8H7NO4S/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)

InChI key: InChIKey=CYOCVNINXORWNY-UHFFFAOYSA-N

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

Synonyms:

• 2-(Methylthio)-5-nitrobenzoic acid
• 2-(Methylsulfanyl)-5-nitrobenzoic acid
• Benzoic acid, 2-(methylthio)-5-nitro-