Phenyl(2H-tetrazol-5-yl)methanone
[CAS# 86583-16-6]

Identification

• Name: Phenyl(2H-tetrazol-5-yl)methanone
• Synonyms: 2H-1,2,3,4-tetraazol-5-yl phenyl ketone; benzoyltetrazole; PHENYL(2H-TETRAZOL-5-YL)METHANONE
• Molecular Formula: C₈H₆N₄O
• Molecular Weight: 174.16
• CAS Registry Number: 86583-16-6
• SMILES: O=C(c1ccccc1)c2nnnn2
• InChI: 1S/C8H6N4O/c13-7(8-9-11-12-10-8)6-4-2-1-3-5-6/h1-5H,(H,9,10,11,12)
• InChIKey: IYLAFLZKTGDJQK-UHFFFAOYSA-N

Properties

• Density: 1.387g/cm³ (Cal.)
• Boiling point: 381.211°C at 760 mmHg (Cal.)
• Flash point: 187.521°C (Cal.)