{3-[(2-Methyl-2-propanyl)carbamoyl]-5-nitrophenyl}boronic acid
[CAS# 871332-87-5]

Identification

• Name: {3-[(2-Methyl-2-propanyl)carbamoyl]-5-nitrophenyl}boronic acid
• Synonyms: 3-(t-butylaminocarbonyl)-5-nitrophenylboronic acid; 3-(T-Butylcarbamoyl)-5-nitrophenylboronic acid; 3-(tert-Butylaminocarbonyl)-5-nitrophenylboronic acid
• Molecular Formula: C₁₁H₁₅BN₂O₅
• Molecular Weight: 266.06
• CAS Registry Number: 871332-87-5
• SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(C)(C)C)(O)O
• InChI: 1S/C11H15BN2O5/c1-11(2,3)13-10(15)7-4-8(12(16)17)6-9(5-7)14(18)19/h4-6,16-17H,1-3H3,(H,13,15)
• InChIKey: OUMNTSXALLQRLY-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Melting point: 177-179°C (Expl.)
• Refractive index: 1.557 (Cal.)

Safety Data

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