{4-[(4-Methylphenyl)sulfamoyl]phenyl}boronic acid
[CAS# 957062-88-3]

Identification

• Name: {4-[(4-Methylphenyl)sulfamoyl]phenyl}boronic acid
• Synonyms: (4-(N-(P-tolyl)sulfamoyl)phenyl)boronic acid; 4-[(4-Methylphenyl)sulphamoyl]benzeneboronic acid; MFCD09878329
• Molecular Formula: C₁₃H₁₄BNO₄S
• Molecular Weight: 291.13
• CAS Registry Number: 957062-88-3
• SMILES: B(C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C)(O)O
• InChI: 1S/C13H14BNO4S/c1-10-2-6-12(7-3-10)15-20(18,19)13-8-4-11(5-9-13)14(16)17/h2-9,15-17H,1H3
• InChIKey: RGJGYRYMFMLJEU-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 503.4±60.0°C at 760 mmHg (Cal.)
• Flash point: 258.3±32.9°C (Cal.)
• Refractive index: 1.633 (Cal.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin