5-Phenyl-3-(2,4-Xylyl)-1H-1,2,4-Triazole
[CAS# 85303-90-8]

Identification

• Name: 5-Phenyl-3-(2,4-Xylyl)-1H-1,2,4-Triazole
• Synonyms: 5-Phenyl-3-(2,4-Xylyl)-S-Triazole; Brn 5552524; S-Triazole, 5-Phenyl-3-(2,4-Xylyl)-
• Molecular Formula: C₁₆H₁₅N₃
• Molecular Weight: 249.31
• CAS Registry Number: 85303-90-8
• SMILES: C1=C(C=CC(=C1C)C2=NC(=N[NH]2)C3=CC=CC=C3)C
• InChI: 1S/C16H15N3/c1-11-8-9-14(12(2)10-11)16-17-15(18-19-16)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,17,18,19)
• InChIKey: LXVXIEDVPDPIGJ-UHFFFAOYSA-N

Properties

• Density: 1.147g/cm³ (Cal.)
• Boiling point: 458.126°C at 760 mmHg (Cal.)
• Flash point: 209.814°C (Cal.)