4-[(4-Chlorophenyl)Methyl]-6,7-Dimethoxyisoquinolin-2-Ium Bromide
[CAS# 32871-99-1]

Identification

• Name: 4-[(4-Chlorophenyl)Methyl]-6,7-Dimethoxyisoquinolin-2-Ium Bromide
• Synonyms: 4-[(4-Chlorophenyl)Methyl]-6,7-Dimethoxy-Isoquinolin-2-Ium Bromide; 4-(4-Chlorobenzyl)-6,7-Dimethoxy-Isoquinolin-2-Ium Bromide; 4-(P-Chlorobenzyl)-6,7-Dimethoxyisoquinoline Hydrobromide
• Molecular Formula: C₁₈H₁₇BrClNO₂
• Molecular Weight: 394.69
• CAS Registry Number: 32871-99-1 (32872-00-7)
• SMILES: C1=C(OC)C(=CC2=C1C(=C[NH+]=C2)CC3=CC=C(Cl)C=C3)OC.[Br-]
• InChI: 1S/C18H16ClNO2.BrH/c1-21-17-8-14-11-20-10-13(16(14)9-18(17)22-2)7-12-3-5-15(19)6-4-12;/h3-6,8-11H,7H2,1-2H3;1H
• InChIKey: LZLBVYNYYWAWKE-UHFFFAOYSA-N

Properties

• Boiling point: 466.9°C at 760 mmHg (Cal.)
• Flash point: 236.2°C (Cal.)