1,5-Dihydro-8H-Tetrazolo[1,5-a]Purin-8-One
[CAS# 500310-95-2]

Identification

• Name: 1,5-Dihydro-8H-Tetrazolo[1,5-a]Purin-8-One
• Synonyms: 1H-tetrazolo[1,5-a]purin-8(5H)-one
• Molecular Formula: C₅H₃N₇O
• Molecular Weight: 177.12
• CAS Registry Number: 500310-95-2
• SMILES: C1=NC2=C(N1)N=C3N=NNN3C2=O
• InChI: 1S/C5H3N7O/c13-4-2-3(7-1-6-2)8-5-9-10-11-12(4)5/h1H,(H,6,7)(H,8,9,11)
• InChIKey: SRGAXDQBMPQFLB-UHFFFAOYSA-N

Properties

• Density: 2.8±0.1g/cm³ (Cal.)
• Boiling point: 512.8±42.0°C at 760 mmHg (Cal.)
• Flash point: 264.0±27.9°C (Cal.)
• Refractive index: 2.531 (Cal.)