2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one
[CAS# 97507-52-3]

Identification

• Name: 2-Phenyl-2,5,6,7-tetrahydro-4H-benzotriazol-4-one
• Synonyms: 2-phenyl-2,5,6,7-tetrahydro-4H-1,2,3-benzotriazol-4-one; 2-phenyl-6,7-dihydro-2H-benzo[d][1,2,3]triazol-4(5H)-one
• Molecular Formula: C₁₂H₁₁N₃O
• Molecular Weight: 213.24
• CAS Registry Number: 97507-52-3
• SMILES: C1CC2=NN(N=C2C(=O)C1)C3=CC=CC=C3
• InChI: 1S/C12H11N3O/c16-11-8-4-7-10-12(11)14-15(13-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
• InChIKey: VQHCVLOZJJUGAQ-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 419.7±48.0°C at 760 mmHg (Cal.)
• Flash point: 207.6±29.6°C (Cal.)