5-Phenyl-1H-Tetrazole
[CAS# 5378-52-9]

Identification

• Name: 5-Phenyl-1H-Tetrazole
• Synonyms: 1-Phenyl-1,2,3,4-Tetrazole; Zinc00332210; 1-Phenyl-1H-Tetrazole
• Molecular Formula: C₇H₆N₄
• Molecular Weight: 146.15
• CAS Registry Number: 5378-52-9
• SMILES: C1=NN=N[N]1C2=CC=CC=C2
• InChI: 1S/C7H6N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h1-6H
• InChIKey: IYPXPGSELZFFMI-UHFFFAOYSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Boiling point: 288.653°C at 760 mmHg (Cal.)
• Flash point: 128.373°C (Cal.)

References

• (1): Kwang-Seuk Ko, Matthew D. Alexander, Shaun D. Fontaine, James E. Biggs-Houck, James J. La Clair and Michael D. Burkart. Synthetic studies on the mycolactone core, Org. Biomol. Chem., 2010, 8, 5159.