2,4,6-Triazatricyclo[5.4.1.0^2,6]Dodeca-1(11),3,7,9-Tetraene
[CAS 114959-43-2]

Identification

• Name: 2,4,6-Triazatricyclo[5.4.1.0^2,6]Dodeca-1(11),3,7,9-Tetraene
• Synonyms: 1H-5,10-methano[1,2,4]triazolo[1,2-a][1,2]diazocine
• Molecular Formula: C₉H₉N₃
• Molecular Weight: 159.19
• CAS Registry Number: 114959-43-2
• SMILES: c1ccc2n3n(c(c1)C2)CN=C3
• InChI: 1S/C9H9N3/c1-2-4-9-5-8(3-1)11-6-10-7-12(9)11/h1-4,6H,5,7H2
• InChIKey: PVALTCDFNYJXSG-UHFFFAOYSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 309.784°C at 760 mmHg (Cal.)
• Flash point: 141.152°C (Cal.)
• Refractive index: 1.734 (Cal.)