[3-(1-Piperidinylsulfonyl)phenyl]boronic acid
[CAS# 690662-96-5]

Identification

• Classification: API >> Synthetic anti-infective drugs >> Sulfonamides and synergists
• Name: [3-(1-Piperidinylsulfonyl)phenyl]boronic acid
• Synonyms: (3-(Piperidin-1-ylsulfonyl)phenyl)boronic acid; 3-(Piperidin-1-ylsulfonyl)phenylboronic acid; MFCD07783850
• Molecular Formula: C₁₁H₁₆BNO₄S
• Molecular Weight: 269.13
• CAS Registry Number: 690662-96-5
• SMILES: B(C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2)(O)O
• InChI: 1S/C11H16BNO4S/c14-12(15)10-5-4-6-11(9-10)18(16,17)13-7-2-1-3-8-13/h4-6,9,14-15H,1-3,7-8H2
• InChIKey: HQOWPGGTRBFYFE-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Melting point: 166-168°C (Expl.)
• Boiling point: 494.5±55.0°C at 760 mmHg (Cal.)
• Flash point: 252.9±31.5°C (Cal.)
• Refractive index: 1.599 (Cal.)

Safety Data

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