3,5-Diazatetracyclo[5.4.0.0^2,9.0^4,8]Undeca-1(7),2(9),3,5,10-Pentaene
[CAS# 168040-84-4]

Identification

• Name: 3,5-Diazatetracyclo[5.4.0.0^2,9.0^4,8]Undeca-1(7),2(9),3,5,10-Pentaene
• Synonyms: 2,5,8-(epimethanetriyl)cyclopenta[d][1,3]diazepine
• Molecular Formula: C₉H₄N₂
• Molecular Weight: 140.14
• CAS Registry Number: 168040-84-4
• SMILES: c1cc2c-3nc4ncc(c13)C24
• InChI: 1S/C9H4N2/c1-2-5-7-6-3-10-9(7)11-8(5)4(1)6/h1-3,7H
• InChIKey: YTIMVDRZDTXQBI-UHFFFAOYSA-N

Properties

• Density: 1.929g/cm³ (Cal.)
• Boiling point: 479.66°C at 760 mmHg (Cal.)
• Flash point: 236.801°C (Cal.)
• Refractive index: 2.159 (Cal.)