4-Methylsulfonyl-3-Nitro-Benzoic Acid
[CAS# 81029-08-5]

Identification

• Name: 4-Methylsulfonyl-3-Nitro-Benzoic Acid
• Synonyms: 4-Methylsulfonyl-3-Nitro-Benzoate; 4-Mesyl-3-Nitro-Benzoate; Zinc03886201
• Molecular Formula: C₈H₆NO₆S
• Molecular Weight: 244.20
• CAS Registry Number: 81029-08-5
• EINECS: 279-676-6
• SMILES: C1=CC(=CC(=C1[S](=O)(=O)C)[N+]([O-])=O)C([O-])=O
• InChI: 1S/C8H7NO6S/c1-16(14,15)7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)/p-1
• InChIKey: MZIWQSVCXANUIX-UHFFFAOYSA-M

Properties

• Boiling point: 508.363°C at 760 mmHg (Cal.)
• Flash point: 261.249°C (Cal.)