2-(2-Hydroxyethoxy)-6-(2H-tetrazol-5-yl)-9H-xanthen-9-one
[CAS# 89217-37-8]

Identification

• Name: 2-(2-Hydroxyethoxy)-6-(2H-tetrazol-5-yl)-9H-xanthen-9-one
• Synonyms: 9H-Xanthen-9-one, 2-(2-hydroxyethoxy)-6-(1H-tetrazol-5-yl)-; BW A440C; Bwa 440C
• Molecular Formula: C₁₆H₁₂N₄O₄
• Molecular Weight: 324.29
• CAS Registry Number: 89217-37-8
• SMILES: O=C1c4c(Oc3c1ccc(c2nnnn2)c3)ccc(OCCO)c4
• InChI: 1S/C16H12N4O4/c21-5-6-23-10-2-4-13-12(8-10)15(22)11-3-1-9(7-14(11)24-13)16-17-19-20-18-16/h1-4,7-8,21H,5-6H2,(H,17,18,19,20)
• InChIKey: IVXIHYJYORUTFH-UHFFFAOYSA-N

Properties

• Density: 1.509g/cm³ (Cal.)
• Boiling point: 636.467°C at 760 mmHg (Cal.)
• Flash point: 338.723°C (Cal.)