2-Chloro-4H-Pyrimido[2,1-a]Isoquinolin-4-One
[CAS# 42398-55-0]

Identification

• Name: 2-Chloro-4H-Pyrimido[2,1-a]Isoquinolin-4-One
• Molecular Formula: C₁₂H₇ClN₂O
• Molecular Weight: 230.65
• CAS Registry Number: 42398-55-0
• SMILES: ClC=1\N=C2\c3c(\C=C/N2C(=O)C=1)cccc3
• InChI: 1S/C12H7ClN2O/c13-10-7-11(16)15-6-5-8-3-1-2-4-9(8)12(15)14-10/h1-7H
• InChIKey: BYRWJYALSBHOFU-UHFFFAOYSA-N

Properties

• Density: 1.421g/cm³ (Cal.)
• Boiling point: 359.842°C at 760 mmHg (Cal.)
• Flash point: 171.427°C (Cal.)