2-Ethoxy-6-(2H-tetrazol-5-yl)-9H-xanthen-9-one
[CAS# 89217-08-3]

Identification

• Name: 2-Ethoxy-6-(2H-tetrazol-5-yl)-9H-xanthen-9-one
• Synonyms: 2-Ethoxy-6(5-tetrazolyl)xanthone; 9H-Xanthen-9-one, 2-ethoxy-6-(1H-tetrazol-5-yl)-; BW A827C
• Molecular Formula: C₁₆H₁₂N₄O₃
• Molecular Weight: 308.29
• CAS Registry Number: 89217-08-3
• SMILES: O=C1c4c(Oc3c1ccc(c2nnnn2)c3)ccc(OCC)c4
• InChI: 1S/C16H12N4O3/c1-2-22-10-4-6-13-12(8-10)15(21)11-5-3-9(7-14(11)23-13)16-17-19-20-18-16/h3-8H,2H2,1H3,(H,17,18,19,20)
• InChIKey: MPTIYRLFOQQXKE-UHFFFAOYSA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 572.237°C at 760 mmHg (Cal.)
• Flash point: 299.878°C (Cal.)