[4-Chloro-3-(1-pyrrolidinylcarbonyl)phenyl]boronic acid
[CAS# 871332-75-1]

Identification

• Name: [4-Chloro-3-(1-pyrrolidinylcarbonyl)phenyl]boronic acid
• Synonyms: (4-Chloro-3-(pyrrolidine-1-carbonyl)phenyl)boronic acid; (4-Chloro-3-(pyrrolidine-1-carbonyl)-phenyl)boronic acid; (5-Borono-2-chlorophenyl)carbonylpyrrolidine
• Molecular Formula: C₁₁H₁₃BClNO₃
• Molecular Weight: 253.49
• CAS Registry Number: 871332-75-1
• SMILES: B(C1=CC(=C(C=C1)Cl)C(=O)N2CCCC2)(O)O
• InChI: 1S/C11H13BClNO3/c13-10-4-3-8(12(16)17)7-9(10)11(15)14-5-1-2-6-14/h3-4,7,16-17H,1-2,5-6H2
• InChIKey: NSFDJLUUAWITQY-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 159-163°C (Expl.)
• Boiling point: 492.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 251.7±31.5°C (Cal.)
• Refractive index: 1.6 (Cal.)

Safety Data

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