3-(2H-tetrazol-5-yl)-4(3H)-Quinazolinone sodium salt (1:1)
[CAS# 87693-14-9]

Identification

• Name: 3-(2H-tetrazol-5-yl)-4(3H)-Quinazolinone sodium salt (1:1)
• Synonyms: [5-(4-oxoquinazolin-3(4H)-yl)-1H-tetrazol-1-yl]}sodium salt.monohydrate; 3(1H)-Tetrazol-5-yl)-4(3H)-quinazolinone; 3-Tyqz
• Molecular Formula: C₉H₆N₆NaO
• Molecular Weight: 237.17
• CAS Registry Number: 87693-14-9
• SMILES: [Na+].O=C1c3c(\N=C/N1c2nnnn2)cccc3
• InChI: 1S/C9H6N6O.Na/c16-8-6-3-1-2-4-7(6)10-5-15(8)9-11-13-14-12-9;/h1-5H,(H,11,12,13,14);/q;+1
• InChIKey: PQKMDJBZJHXUHW-UHFFFAOYSA-N

Properties

• Boiling point: 544.5°C at 760 mmHg (Cal.)
• Flash point: 283.1°C (Cal.)