Cloquinate
[CAS# 7270-12-4]

Identification

• Name: Cloquinate
• Synonyms: N'-(7-Chloro-4-Quinolyl)-N,N-Diethyl-Pentane-1,4-Diamine; 8-Hydroxy-7-Iodo-Quinoline-5-Sulfonic Acid; 8-Hydroxy-7-Iodo-Quinoline-5-Sulfonic Acid; N'-(7-Chloro-4-Quinolyl)-N,N-Diethylpentane-1,4-Diamine; 8-Hydroxy-7-Iodo-5-Quinolinesulfonic Acid; 8-Hydroxy-7-Iodo-5-Quinolinesulfonic Acid
• Molecular Formula: C₃₆H₃₈ClI₂N₅O₈S₂
• Molecular Weight: 1022.11
• CAS Registry Number: 7270-12-4
• EINECS: 230-689-5
• SMILES: C2=C(C1=CC=CN=C1C(=C2I)O)[S](O)(=O)=O.C4=C(C3=CC=CN=C3C(=C4I)O)[S](O)(=O)=O.C(C(NC5=C6C(=NC=C5)C=C(Cl)C=C6)C)CCN(CC)CC
• InChI: 1S/C18H26ClN3.2C9H6INO4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*1-4,12H,(H,13,14,15)
• InChIKey: USABWIQJRBGMKQ-UHFFFAOYSA-N

Properties

• Boiling point: 460.6°C at 760 mmHg (Cal.)
• Flash point: 232.3°C (Cal.)