4-(4-Chlorophenylmethyl)-6,7-Dimethoxy-Isoquinoline Methanesulfonate (1:1)
[CAS# 61189-88-6]

Identification

• Name: 4-(4-Chlorophenylmethyl)-6,7-Dimethoxy-Isoquinoline Methanesulfonate (1:1)
• Synonyms: 4-[(4-Chlorophenyl)Methyl]-6,7-Dimethoxy-Isoquinoline; Methanesulfonic Acid; 4-(4-Chlorobenzyl)-6,7-Dimethoxy-Isoquinoline; Methanesulfonic Acid; 4-(P-Chlorobenzyl)-6,7-Dimethoxyisoquinolinium Methanesulphonate
• Molecular Formula: C₁₉H₂₀ClNO₅S
• Molecular Weight: 409.88
• CAS Registry Number: 61189-88-6
• EINECS: 262-646-1
• SMILES: C1=NC=C3C(=C1CC2=CC=C(C=C2)Cl)C=C(C(=C3)OC)OC.C[S](=O)(=O)O
• InChI: 1S/C18H16ClNO2.CH4O3S/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;1-5(2,3)4/h3-6,8-11H,7H2,1-2H3;1H3,(H,2,3,4)
• InChIKey: XQCSXUJTPZFYTN-UHFFFAOYSA-N

Properties

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