1H-1,2-Diazepine
[CAS# 291-77-0]

Identification

• Name: 1H-1,2-Diazepine
• Molecular Formula: C₅H₆N₂
• Molecular Weight: 94.11
• CAS Registry Number: 291-77-0
• SMILES: C1=CC=NNC=C1
• InChI: 1S/C5H6N2/c1-2-4-6-7-5-3-1/h1-6H
• InChIKey: LRANPJDWHYRCER-UHFFFAOYSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Boiling point: 209.9±13.0°C at 760 mmHg (Cal.)
• Flash point: 80.7±19.8°C (Cal.)
• Refractive index: 1.536 (Cal.)

References

• (1): Alan Rolfe, Gerald. H. Lushington and Paul. R. Hanson. Reagent based DOS: A “Click, Click, Cyclize” strategy to probe chemical space, Org. Biomol. Chem., 2010, 8, 2198.