3-Iodo-4-(3-methoxy-4-methylphenyl)-4H-1,2,4-triazole
[CAS# 944642-14-2]

Identification

• Name: 3-Iodo-4-(3-methoxy-4-methylphenyl)-4H-1,2,4-triazole
• Synonyms: 3-iodo-4-(3-methoxy-4-methylphenyl)-4H-1,2,4-triazole
• Molecular Formula: C₁₀H₁₀IN₃O
• Molecular Weight: 315.11
• CAS Registry Number: 944642-14-2
• SMILES: Cc1ccc(cc1OC)n2cnnc2I
• InChI: 1S/C10H10IN3O/c1-7-3-4-8(5-9(7)15-2)14-6-12-13-10(14)11/h3-6H,1-2H3
• InChIKey: UPJPMFMYKBLYII-UHFFFAOYSA-N

Properties

• Density: 1.759g/cm³ (Cal.)
• Boiling point: 419.385°C at 760 mmHg (Cal.)
• Flash point: 207.437°C (Cal.)
• Refractive index: 1.674 (Cal.)