[3-Nitro-5-(propylcarbamoyl)phenyl]boronic acid
[CAS# 871332-88-6]

Identification

• Name: [3-Nitro-5-(propylcarbamoyl)phenyl]boronic acid
• Synonyms: 3-(N-Propylaminocarbonyl)-5-nitrophenylboronic acid; 3-(Propylcarbamoyl)-5-nitrophenylboronic acid; 3-(Propylcarbamoyl)-5-nitrophenylboronicacid
• Molecular Formula: C₁₀H₁₃BN₂O₅
• Molecular Weight: 252.03
• CAS Registry Number: 871332-88-6
• SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCC)(O)O
• InChI: 1S/C10H13BN2O5/c1-2-3-12-10(14)7-4-8(11(15)16)6-9(5-7)13(17)18/h4-6,15-16H,2-3H2,1H3,(H,12,14)
• InChIKey: HNHYFGGDBCBQMF-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 190-192°C (Expl.)
• Refractive index: 1.566 (Cal.)

Safety Data

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