8-(2-Butoxyethoxy)-3-(1H-Tetrazol-5-Yl)-2H-1-Benzopyran-2-One
[CAS# 80916-84-3]

Identification

• Name: 8-(2-Butoxyethoxy)-3-(1H-Tetrazol-5-Yl)-2H-1-Benzopyran-2-One
• Synonyms: 8-(2-Butoxyethoxy)-3-(2H-Tetrazol-5-Yl)-2-Chromenone; 8-(2-Butoxyethoxy)-3-(2H-Tetrazol-5-Yl)Coumarin; 8-(2-Butoxyethoxy)-3-(2H-1,2,3,4-Tetrazol-5-Yl)Chromen-2-One
• Molecular Formula: C₁₆H₁₈N₄O₄
• Molecular Weight: 330.34
• CAS Registry Number: 80916-84-3
• SMILES: C1=C2C(=C(OCCOCCCC)C=C1)OC(=O)C(=C2)C3=N[NH]N=N3
• InChI: 1S/C16H18N4O4/c1-2-3-7-22-8-9-23-13-6-4-5-11-10-12(15-17-19-20-18-15)16(21)24-14(11)13/h4-6,10H,2-3,7-9H2,1H3,(H,17,18,19,20)
• InChIKey: NDMDPBULLVEFAA-UHFFFAOYSA-N

Properties

• Density: 1.32g/cm³ (Cal.)
• Boiling point: 577.68°C at 760 mmHg (Cal.)
• Flash point: 303.17°C (Cal.)