3-(6,7-Dimethoxyisoquinolin-1-Yl)-3-(3,4-Dimethoxyphenyl)-1,1,1-Trichloro-2-Propanone
[CAS# 66170-04-5]

Identification

• Name: 3-(6,7-Dimethoxyisoquinolin-1-Yl)-3-(3,4-Dimethoxyphenyl)-1,1,1-Trichloro-2-Propanone
• Synonyms: 1,1,1-Trichloro-3-(6,7-Dimethoxy-1-Isoquinolyl)-3-(3,4-Dimethoxyphenyl)Propan-2-One; 1,1,1-Trichloro-3-(6,7-Dimethoxy-1-Isoquinolyl)-3-(3,4-Dimethoxyphenyl)Acetone; 2-Propanone, 3-(6,7-Dimethoxy-1-Isoquinolinyl)-3-(3,4-Dimethoxyphenyl)-1,1,1-Trichloro-
• Molecular Formula: C₂₂H₂₀Cl₃NO₅
• Molecular Weight: 484.76
• CAS Registry Number: 66170-04-5
• SMILES: C1=C(C(=CC=C1C(C(C(Cl)(Cl)Cl)=O)C2=C3C(=CC=N2)C=C(C(=C3)OC)OC)OC)OC
• InChI: 1S/C22H20Cl3NO5/c1-28-15-6-5-13(10-16(15)29-2)19(21(27)22(23,24)25)20-14-11-18(31-4)17(30-3)9-12(14)7-8-26-20/h5-11,19H,1-4H3
• InChIKey: OCPDHYZMIVSTOD-UHFFFAOYSA-N

Properties

• Density: 1.357g/cm³ (Cal.)
• Boiling point: 558.612°C at 760 mmHg (Cal.)
• Flash point: 291.638°C (Cal.)