1-[(4-Methylphenyl)sulfonyl]-1H-imidazole-4-carboxylic acid
[CAS# 957063-02-4]

Identification

• Name: 1-[(4-Methylphenyl)sulfonyl]-1H-imidazole-4-carboxylic acid
• Synonyms: 1-[(4-Methylphenyl)sulfonyl]-1H-imidazole-4-carboxylic acid; 1-[(4-Methylphenyl)sulphonyl]-1H-imidazole-4-carboxylic acid; 1-Tosyl-1H-imidazole-4-carboxylic acid
• Molecular Formula: C₁₁H₁₀N₂O₄S
• Molecular Weight: 266.27
• CAS Registry Number: 957063-02-4
• SMILES: Cc1ccc(cc1)S(=O)(=O)n2cc(nc2)C(=O)O
• InChI: 1S/C11H10N2O4S/c1-8-2-4-9(5-3-8)18(16,17)13-6-10(11(14)15)12-7-13/h2-7H,1H3,(H,14,15)
• InChIKey: KEHGFYXOUGMVJB-UHFFFAOYSA-N

Properties

• Density: 1.461g/cm³ (Cal.)
• Boiling point: 538.327°C at 760 mmHg (Cal.)
• Flash point: 279.371°C (Cal.)
• Refractive index: 1.649 (Cal.)

Safety Data

• Safety Description: Irritant