4-[(4-Methylphenyl)sulfonyl]-3-nitrobenzoic acid
[CAS# 90352-45-7]

Identification

• Name: 4-[(4-Methylphenyl)sulfonyl]-3-nitrobenzoic acid
• Synonyms: Maybridge1_001578
• Molecular Formula: C₁₄H₁₁NO₆S
• Molecular Weight: 321.31
• CAS Registry Number: 90352-45-7
• SMILES: O=S(=O)(c1ccc(cc1)C)c2ccc(C(=O)O)cc2[N+]([O-])=O
• InChI: 1S/C14H11NO6S/c1-9-2-5-11(6-3-9)22(20,21)13-7-4-10(14(16)17)8-12(13)15(18)19/h2-8H,1H3,(H,16,17)
• InChIKey: XKZJPKKNPZIAMY-UHFFFAOYSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 553.214°C at 760 mmHg (Cal.)
• Flash point: 288.374°C (Cal.)