5-Phenyl-1H-Tetrazole, Calcium Salt
[CAS# 55719-89-6]

Identification

• Name: 5-Phenyl-1H-Tetrazole, Calcium Salt
• Synonyms: 1H-Tetrazole, 5-Phenyl-, Calcium Salt; 5-Phenyl-1H-Tetrazole, Calcium Salt; 5-Phenyltetrazole, Calcium Salt
• Molecular Formula: C₁₄H₁₀CaN₈
• Molecular Weight: 330.37
• CAS Registry Number: 55719-89-6
• EINECS: 259-776-6
• SMILES: [N-]1N=NC(=N1)C2=CC=CC=C2.[N-]3N=NC(=N3)C4=CC=CC=C4.[Ca++]
• InChI: 1S/2C7H5N4.Ca/c2*1-2-4-6(5-3-1)7-8-10-11-9-7;/h2*1-5H;/q2*-1;+2
• InChIKey: LIQUIQYZHDBODX-UHFFFAOYSA-N

Properties

• Boiling point: 330.5°C at 760 mmHg (Cal.)
• Flash point: 161.3°C (Cal.)