3-Oxa-4,9,10-triazatetracyclo[5.4.1.0^2,6.0^8,11]dodeca-1,4,6,8,10-pentaene
[CAS# 70729-49-6]

Identification

• Name: 3-Oxa-4,9,10-triazatetracyclo[5.4.1.0^2,6.0^8,11]dodeca-1,4,6,8,10-pentaene
• Synonyms: 3,7-methano[1,2]diazeto[3',4':4,5]benzo[1,2-d]isoxazole
• Molecular Formula: C₈H₃N₃O
• Molecular Weight: 157.13
• CAS Registry Number: 70729-49-6
• SMILES: C1C2=C3C=NOC3=C1C4=NN=C24
• InChI: 1S/C8H3N3O/c1-3-5-2-9-12-8(5)4(1)7-6(3)10-11-7/h2H,1H2
• InChIKey: OCRPRJMCHJMWAI-UHFFFAOYSA-N

Properties

• Density: 2.3±0.1g/cm³ (Cal.)
• Boiling point: 220.2±50.0°C at 760 mmHg (Cal.)
• Flash point: 73.9±22.6°C (Cal.)