1-(2-Nitrobenzyl)-1H-imidazole-5-carbaldehyde
[CAS# 85103-00-0]

Identification

• Name: 1-(2-Nitrobenzyl)-1H-imidazole-5-carbaldehyde
• Synonyms: 3-(2-NITRO-BENZYL)-3H-IMIDAZOLE-4-CARBALDEHYDE
• Molecular Formula: C₁₁H₉N₃O₃
• Molecular Weight: 231.21
• CAS Registry Number: 85103-00-0
• SMILES: C1=CC=C(C(=C1)CN2C=NC=C2C=O)[N+](=O)[O-]
• InChI: 1S/C11H9N3O3/c15-7-10-5-12-8-13(10)6-9-3-1-2-4-11(9)14(16)17/h1-5,7-8H,6H2
• InChIKey: HXVQHUUOUFAHJL-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 457.9±25.0°C at 760 mmHg (Cal.)
• Flash point: 230.7±23.2°C (Cal.)