4-(5,6-Dihydro(1,2,4)Triazolo(5,1-a)Isoquinolin-2-Yl)-1,2-Benzenediol
[CAS# 80830-10-0]

Identification

• Name: 4-(5,6-Dihydro(1,2,4)Triazolo(5,1-a)Isoquinolin-2-Yl)-1,2-Benzenediol
• Synonyms: (4E)-4-(5,6-Dihydro-3H-[1,2,4]Triazolo[5,1-A]Isoquinolin-2-Ylidene)-2-Hydroxy-Cyclohexa-2,5-Dien-1-One; (4E)-4-(5,6-Dihydro-3H-[1,2,4]Triazolo[5,1-A]Isoquinolin-2-Ylidene)-2-Hydroxy-1-Cyclohexa-2,5-Dienone; 4-(5,6-Dihydro(1,2,4)Triazolo(5,1-A)Isoquinolin-2-Yl)-1,2-Benzenediol
• Molecular Formula: C₁₆H₁₃N₃O₂
• Molecular Weight: 279.30
• CAS Registry Number: 80830-10-0
• SMILES: C3=C2CCN1N\C(N=C1C2=CC=C3)=C4\C=C(O)C(=O)C=C4
• InChI: 1S/C16H13N3O2/c20-13-6-5-11(9-14(13)21)15-17-16-12-4-2-1-3-10(12)7-8-19(16)18-15/h1-6,9,18,21H,7-8H2/b15-11+
• InChIKey: XQJOGDIUHNJOTF-RVDMUPIBSA-N

Properties

• Density: 1.463g/cm³ (Cal.)
• Boiling point: 386.407°C at 760 mmHg (Cal.)
• Flash point: 187.492°C (Cal.)