(4-Methyl-3,5-Dinitrophenyl)Boronic Acid
[CAS# 28249-49-2]

Identification

• Name: (4-Methyl-3,5-Dinitrophenyl)Boronic Acid
• Synonyms: (4-Methyl-3,5-dinitrophenyl)boronic acid; 3,5-Dinitro-4-methyl benzeneboronic acid; 3,5-Dinitro-4-methylbenzeneboronic acid
• Molecular Formula: C₇H₇BN₂O₆
• Molecular Weight: 225.95
• CAS Registry Number: 28249-49-2
• SMILES: B(C1=CC(=C(C(=C1)[N+](=O)[O-])C)[N+](=O)[O-])(O)O
• InChI: 1S/C7H7BN2O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3,11-12H,1H3
• InChIKey: DTWIWVTWNMEZOL-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 280°C (Expl.)
• Boiling point: 407.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 200.3±31.5°C (Cal.)
• Refractive index: 1.596 (Cal.)

Safety Data

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