2-(1,3-Dihydrobenzotriazol-2-Yl)Cyclohexa-2,5-Diene-1,4-Dione
[CAS# 31701-42-5]

Identification

• Name: 2-(1,3-Dihydrobenzotriazol-2-Yl)Cyclohexa-2,5-Diene-1,4-Dione
• Synonyms: 2-(1,3-Dihydrobenzotriazol-2-Yl)-1,4-Benzoquinone; 2-(1,3-Dihydrobenzotriazol-2-Yl)-P-Benzoquinone; Nsc 375989
• Molecular Formula: C₁₂H₉N₃O₂
• Molecular Weight: 227.22
• CAS Registry Number: 31701-42-5
• EINECS: 250-769-3
• SMILES: C2=C1NN(NC1=CC=C2)C3=CC(=O)C=CC3=O
• InChI: 1S/C12H9N3O2/c16-8-5-6-12(17)11(7-8)15-13-9-3-1-2-4-10(9)14-15/h1-7,13-14H
• InChIKey: FMHIVRHBFAHCDU-UHFFFAOYSA-N

Properties

• Density: 1.426g/cm³ (Cal.)
• Boiling point: 387.939°C at 760 mmHg (Cal.)
• Flash point: 188.419°C (Cal.)