5-[[4-[(2-Chlorophenyl)[4-[(3,5-Dicarboxyphenyl)Amino]Phenyl]Methylene]Cyclohexa-2,5-Dien-1-Ylidene]Amino]Isophthalic Acid Monohydrochloride
[CAS# 94166-42-4]

Identification

• Name: 5-[[4-[(2-Chlorophenyl)[4-[(3,5-Dicarboxyphenyl)Amino]Phenyl]Methylene]Cyclohexa-2,5-Dien-1-Ylidene]Amino]Isophthalic Acid Monohydrochloride
• Synonyms: 5-[[4-[(2-Chlorophenyl)-[4-(3,5-Dicarboxyphenyl)Imino-1-Cyclohexa-2,5-Dienylidene]Methyl]Phenyl]Amino]Isophthalic Acid Hydrochloride; 5-((4-((2-Chlorophenyl)(4-((3,5-Dicarboxyphenyl)Amino)Phenyl)Methylene)Cyclohexa-2,5-Dien-1-Ylidene)Amino)Isophthalic Acid
• Molecular Formula: C₃₅H₂₄Cl₂N₂O₈
• Molecular Weight: 671.49
• CAS Registry Number: 94166-42-4
• EINECS: 303-339-5
• SMILES: [H+].C4=C(C(=C2C=CC(=NC1=CC(=CC(=C1)C(O)=O)C(O)=O)C=C2)C3=CC=CC=C3Cl)C=CC(=C4)NC5=CC(=CC(=C5)C(O)=O)C(O)=O.[Cl-]
• InChI: 1S/C35H23ClN2O8.ClH/c36-30-4-2-1-3-29(30)31(19-5-9-25(10-6-19)37-27-15-21(32(39)40)13-22(16-27)33(41)42)20-7-11-26(12-8-20)38-28-17-23(34(43)44)14-24(18-28)35(45)46;/h1-18,37H,(H,39,40)(H,41,42)(H,43,44)(H,45,46);1H
• InChIKey: KXFMNVQVDOVUBX-UHFFFAOYSA-N

Properties

• Boiling point: 934.3°C at 760 mmHg (Cal.)
• Flash point: 518.9°C (Cal.)