1,4-Diphenyl-3-(Phenylamino)-1H-1,2,4-Triazolium Bromide
[CAS# 55915-30-5]

Identification

• Name: 1,4-Diphenyl-3-(Phenylamino)-1H-1,2,4-Triazolium Bromide
• Synonyms: 2,3,5,6-Tetraazabicyclo(2.1.1)Hex-1-Ene, 3,5,6-Triphenyl-, Monohydrobromide
• Molecular Formula: C₂₀H₁₉BrN₄
• Molecular Weight: 395.30
• CAS Registry Number: 55915-30-5
• SMILES: [H+].C4=C(N1CN(N=C1NC2=CC=CC=C2)C3=CC=CC=C3)C=CC=C4.[Br-]
• InChI: 1S/C20H18N4.BrH/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18;/h1-15H,16H2,(H,21,22);1H
• InChIKey: UFARRNXGEDNDGL-UHFFFAOYSA-N

Properties

• Boiling point: 447.6°C at 760 mmHg (Cal.)
• Flash point: 224.5°C (Cal.)