3-(4-Bromophenyl)-1,2,3-Benzotriazin-4(3H)-One
[CAS# 55649-80-4]

Identification

• Name: 3-(4-Bromophenyl)-1,2,3-Benzotriazin-4(3H)-One
• Synonyms: 3-(4-Bromophenyl)-1,2,3-benzotriazin-4(3H)-one #; ZINC00071308
• Molecular Formula: C₁₃H₈BrN₃O
• Molecular Weight: 302.13
• CAS Registry Number: 55649-80-4
• SMILES: C1=CC=C2C(=C1)C(=O)N(N=N2)C3=CC=C(C=C3)Br
• InChI: 1S/C13H8BrN3O/c14-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)15-16-17/h1-8H
• InChIKey: CXBNGMLYZXDWOG-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 435.3±47.0°C at 760 mmHg (Cal.)
• Flash point: 217.1±29.3°C (Cal.)