3-(2-Butylphenyl)-5-Phenyl-2H-1,2,4-Triazole
[CAS# 85303-88-4]

Identification

• Name: 3-(2-Butylphenyl)-5-Phenyl-2H-1,2,4-Triazole
• Synonyms: Brn 5579725; S-Triazole, 3-(O-Butylphenyl)-5-Phenyl-; 1H-1,2,4-Triazole, 3-(2-Butylphenyl)-5-Phenyl-
• Molecular Formula: C₁₈H₁₉N₃
• Molecular Weight: 277.37
• CAS Registry Number: 85303-88-4
• SMILES: C1=C(CCCC)C(=CC=C1)C2=NC(=N[NH]2)C3=CC=CC=C3
• InChI: 1S/C18H19N3/c1-2-3-9-14-10-7-8-13-16(14)18-19-17(20-21-18)15-11-5-4-6-12-15/h4-8,10-13H,2-3,9H2,1H3,(H,19,20,21)
• InChIKey: NEEHHGCSOUSERQ-UHFFFAOYSA-N

Properties

• Density: 1.107g/cm³ (Cal.)
• Boiling point: 481.445°C at 760 mmHg (Cal.)
• Flash point: 216.094°C (Cal.)