{3-[(2-Chloro-4-methylphenyl)carbamoyl]phenyl}boronic acid
[CAS# 957060-97-8]

Identification

• Name: {3-[(2-Chloro-4-methylphenyl)carbamoyl]phenyl}boronic acid
• Synonyms: 3-(2-Chloro-4-methylphenylcarbamoyl)phenylboronic acid; 3-[(2-Chloro-4-methylphenyl)carbamoyl]benzeneboronic acid 98%; 3-Borono-N-(2-chloro-4-methylphenyl)benzamide
• Molecular Formula: C₁₄H₁₃BClNO₃
• Molecular Weight: 289.52
• CAS Registry Number: 957060-97-8
• SMILES: B(C1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)C)Cl)(O)O
• InChI: 1S/C14H13BClNO3/c1-9-5-6-13(12(16)7-9)17-14(18)10-3-2-4-11(8-10)15(19)20/h2-8,19-20H,1H3,(H,17,18)
• InChIKey: DKRYKTFMVWDUMU-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 294-297°C (Expl.)
• Refractive index: 1.623 (Cal.)

Safety Data

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