8-Butoxy-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one sodium salt
[CAS# 76239-51-5]

Identification

• Name: 8-Butoxy-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one sodium salt
• Synonyms: Sodium 8-Butoxy-3-(2,3,4-Triaza-1-Azanidacyclopenta-2,4-Dien-5-Yl)-2-Chromenone; Sodium 8-Butoxy-3-(2,3,4-Triaza-1-Azanidacyclopenta-2,4-Dien-5-Yl)Coumarin; 2H-1-Benzopyran-2-One, 8-Butoxy-3-(1H-Tetrazol-5-Yl)-, Sodium Salt
• Molecular Formula: C₁₄H₁₃N₄NaO₃
• Molecular Weight: 308.27
• CAS Registry Number: 76239-51-5
• SMILES: [N-]1N=C(N=N1)C3=CC2=CC=CC(=C2OC3=O)OCCCC.[Na+]
• InChI: 1S/C14H13N4O3.Na/c1-2-3-7-20-11-6-4-5-9-8-10(13-15-17-18-16-13)14(19)21-12(9)11;/h4-6,8H,2-3,7H2,1H3;/q-1;+1
• InChIKey: KNGQRVPNAQLNDU-UHFFFAOYSA-N

Properties

• Boiling point: 548.4°C at 760 mmHg (Cal.)
• Flash point: 285.4°C (Cal.)