6-Chloro-3-(2H-Tetrazol-5-Yl)-4H-Chromen-4-One
[CAS# 50743-50-5]

Identification

• Name: 6-Chloro-3-(2H-Tetrazol-5-Yl)-4H-Chromen-4-One
• Synonyms: 6-chloro-3-(1H-tetraazol-5-yl)-4H-chromen-4-one; 6-Chloro-3-(1H-tetrazol-5-yl)-4H-chromen-4-one
• Molecular Formula: C₁₀H₅ClN₄O₂
• Molecular Weight: 248.63
• CAS Registry Number: 50743-50-5
• SMILES: C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C3=NNN=N3
• InChI: 1S/C10H5ClN4O2/c11-5-1-2-8-6(3-5)9(16)7(4-17-8)10-12-14-15-13-10/h1-4H,(H,12,13,14,15)
• InChIKey: WXVLUOKHJBDAHP-UHFFFAOYSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 464.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 234.6±31.5°C (Cal.)