2,4,5-Triazatricyclo[7.1.1.0^2,6]Undeca-1(10),3,6,8-Tetraene
[CAS# 585528-68-3]

Identification

• Name: 2,4,5-Triazatricyclo[7.1.1.0^2,6]Undeca-1(10),3,6,8-Tetraene
• Synonyms: 1H-5,7-methano[1,2,4]triazolo[4,3-a]azepine
• Molecular Formula: C₈H₇N₃
• Molecular Weight: 145.16
• CAS Registry Number: 585528-68-3
• SMILES: C1C2=CC=C3NN=CN3C1=C2
• InChI: 1S/C8H7N3/c1-2-8-10-9-5-11(8)7-3-6(1)4-7/h1-3,5,10H,4H2
• InChIKey: UJCIGTFJVDMOCI-UHFFFAOYSA-N

Properties

• Density: 1.514g/cm³ (Cal.)
• Boiling point: 352.407°C at 760 mmHg (Cal.)
• Flash point: 166.93°C (Cal.)
• Refractive index: 1.823 (Cal.)