4-(4H-1,2,4-Triazol-4-yl)benzoyl chloride
[CAS# 717871-76-6]

Identification

• Name: 4-(4H-1,2,4-Triazol-4-yl)benzoyl chloride
• Synonyms: 4-(4H-1,2,4-triazol-4-yl)benzoyl chloride; BENZOYL CHLORIDE, 4-(4H-1,2,4-TRIAZOL-4-YL)- (9CI)
• Molecular Formula: C₉H₆ClN₃O
• Molecular Weight: 207.62
• CAS Registry Number: 717871-76-6
• SMILES: c1cc(ccc1C(=O)Cl)n2cnnc2
• InChI: 1S/C9H6ClN3O/c10-9(14)7-1-3-8(4-2-7)13-5-11-12-6-13/h1-6H
• InChIKey: QNXFKEVHKRIXOI-UHFFFAOYSA-N

Properties

• Density: 1.41g/cm³ (Cal.)
• Boiling point: 373.302°C at 760 mmHg (Cal.)
• Flash point: 179.567°C (Cal.)
• Refractive index: 1.661 (Cal.)