[3-(Cyclohexylsulfamoyl)phenyl]boronic acid
[CAS# 871329-79-2]

Identification

• Classification: API >> Synthetic anti-infective drugs >> Sulfonamides and synergists
• Name: [3-(Cyclohexylsulfamoyl)phenyl]boronic acid
• Synonyms: (3-(N-Cyclohexylsulfamoyl)phenyl)boronic acid; n-cyclohexyl 3-boronobenzenesulfonamide
• Molecular Formula: C₁₂H₁₈BNO₄S
• Molecular Weight: 283.15
• CAS Registry Number: 871329-79-2
• SMILES: B(C1=CC(=CC=C1)S(=O)(=O)NC2CCCCC2)(O)O
• InChI: 1S/C12H18BNO4S/c15-13(16)10-5-4-8-12(9-10)19(17,18)14-11-6-2-1-3-7-11/h4-5,8-9,11,14-16H,1-3,6-7H2
• InChIKey: LSHHIHODRSZFHE-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 506.6±60.0°C at 760 mmHg (Cal.)
• Flash point: 260.2±32.9°C (Cal.)
• Refractive index: 1.581 (Cal.)

Safety Data

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