CAS 110964-79-9: 4-(Methylsulfonyl)-2-nitrobenzoic acid

Description: 4-(Methylsulfonyl)-2-nitrobenzoic acid, with the CAS number 110964-79-9, is an organic compound characterized by the presence of a benzoic acid structure substituted with both a nitro group and a methylsulfonyl group. This compound typically appears as a solid and is soluble in polar solvents due to the presence of the carboxylic acid functional group. The methylsulfonyl group enhances its polarity and can influence its reactivity and interaction with biological systems. The nitro group is known for its electron-withdrawing properties, which can affect the acidity of the carboxylic acid and the overall electronic properties of the molecule. This compound may exhibit biological activity, making it of interest in pharmaceutical research and development. Its synthesis and characterization involve standard organic chemistry techniques, and it may be used in various applications, including as an intermediate in the synthesis of other chemical entities or as a potential therapeutic agent. Safety data should be consulted for handling and usage, as with all chemical substances.

Formula: C₈H₇NO₆S

InChI: InChI=1S/C8H7NO6S/c1-16(14,15)5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3,(H,10,11)

InChI key: InChIKey=QNOUABMNRMROSL-UHFFFAOYSA-N

SMILES: O=C(O)C1=CC=C(C=C1N(=O)=O)S(=O)(=O)C

Synonyms:

• 2-Nitro-4-(methylsulfonyl)benzoic acid
• 2-Nitro-4-methylsulfonylbenzoic acid
• 2-Nitro-p-methylsulfonyl benzoic acid
• 4-Mesyl-2-nitrobenzoic acid
• Benzoic acid, 4-(methylsulfonyl)-2-nitro-
• 4-(Methylsulfonyl)-2-nitrobenzoic acid

4-Methylsulfonyl-2-nitrobenzoic Acid

CAS: 110964-79-9

• Formula: C₈H₇NO₆S
• Purity: >98.0%(GC)(T)
• Color and Shape: White to Orange to Green powder to crystal
• Molecular weight: 245.21

4-(Methylsulfonyl)-2-nitrobenzoic acid

CAS: 110964-79-9

• Formula: C₈H₇NO₆S
• Purity: 95%
• Color and Shape: Solid
• Molecular weight: 245.2093

4-(Methylsulfonyl)-2-nitrobenzoic acid

CAS: 110964-79-9

• Purity: 95.0%
• Color and Shape: Solid
• Molecular weight: 245.2100067138672

4-(Methylsulfonyl)-2-nitrobenzoic acid

CAS: 110964-79-9

• Formula: C₈H₇NO₆S
• Color and Shape: Neat
• Molecular weight: 245.21

4-Methylsulfonyl-2-Nitrobenzoic Acid

CAS: 110964-79-9

• Formula: C₈H₇NO₆S
• Molecular weight: 245.21

4-(Methylsulphonyl)-2-nitrobenzoic acid

CAS: 110964-79-9

• Formula: C₈H₇NO₆S
• Purity: By hplc: 98.1% by area (Typical Value in Batch COA)
• Color and Shape: faint yellow crystalline powder
• Molecular weight: 245.21g/mol

4-Methylsulfonyl-2-nitrobenzoic Acid

CAS: 110964-79-9

Applications 4-Methylsulfonyl-2-nitrobenzoic acid is a metabolite of Mesotrione. References Guengerich, F., et al.: Drug Metab. …

• Formula: C₈H₇NO₆S
• Color and Shape: Neat
• Molecular weight: 245.21

4-(Methylsulfonyl)-2-nitrobenzoic acid

CAS: 110964-79-9

4-(Methylsulfonyl)-2-nitrobenzoic acid is an activated fatty acid that reacts with phosphotungstic acid to form a …

• Purity: Min. 95%