4-[(4-Chloro-2,5-Dimethylphenyl)Sulfonyl]-3-Nitrobenzoic Acid
[CAS# 219930-07-1]

Identification

• Name: 4-[(4-Chloro-2,5-Dimethylphenyl)Sulfonyl]-3-Nitrobenzoic Acid
• Synonyms: Maybridge1_001272
• Molecular Formula: C₁₅H₁₂ClNO₆S
• Molecular Weight: 369.78
• CAS Registry Number: 219930-07-1
• SMILES: Clc1cc(c(cc1C)S(=O)(=O)c2ccc(C(=O)O)cc2[N+]([O-])=O)C
• InChI: 1S/C15H12ClNO6S/c1-8-6-14(9(2)5-11(8)16)24(22,23)13-4-3-10(15(18)19)7-12(13)17(20)21/h3-7H,1-2H3,(H,18,19)
• InChIKey: PSOCCUYOZSQCOF-UHFFFAOYSA-N

Properties

• Density: 1.499g/cm³ (Cal.)
• Boiling point: 591.921°C at 760 mmHg (Cal.)
• Flash point: 311.783°C (Cal.)
• Refractive index: 1.62 (Cal.)