3-(4-Chloropyrazol-1-Yl)-7-(4-Methyl-5-Phenyltriazol-2-Yl)Chromen-2-One
[CAS# 34771-66-9]

Identification

• Name: 3-(4-Chloropyrazol-1-Yl)-7-(4-Methyl-5-Phenyltriazol-2-Yl)Chromen-2-One
• Synonyms: 3-(4-Chloropyrazol-1-Yl)-7-(4-Methyl-5-Phenyl-Triazol-2-Yl)Chromen-2-One; 3-(4-Chloro-1-Pyrazolyl)-7-(4-Methyl-5-Phenyl-2-Triazolyl)-2-Chromenone; 3-(4-Chloropyrazol-1-Yl)-7-(4-Methyl-5-Phenyl-Triazol-2-Yl)Coumarin
• Molecular Formula: C₂₁H₁₄ClN₅O₂
• Molecular Weight: 403.83
• CAS Registry Number: 34771-66-9
• EINECS: 252-206-7
• SMILES: C1=N[N](C=C1Cl)C5=CC2=C(C=C(C=C2)[N]4N=C(C3=CC=CC=C3)C(=N4)C)OC5=O
• InChI: 1S/C21H14ClN5O2/c1-13-20(14-5-3-2-4-6-14)25-27(24-13)17-8-7-15-9-18(21(28)29-19(15)10-17)26-12-16(22)11-23-26/h2-12H,1H3
• InChIKey: XPCRQHRLGGKEPE-UHFFFAOYSA-N

Properties

• Density: 1.464g/cm³ (Cal.)
• Boiling point: 570.683°C at 760 mmHg (Cal.)
• Flash point: 298.939°C (Cal.)