2-[[1-(4-Aminophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-5-[[2-[[1-(4-Aminophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-4-Hydroxybenzoyl]Amino]Benzoic Acid
[CAS# 84963-13-3]

Identification

• Name: 2-[[1-(4-Aminophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-5-[[2-[[1-(4-Aminophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-4-Hydroxybenzoyl]Amino]Benzoic Acid
• Synonyms: 2-[[1-(4-Aminophenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]-5-[[2-[[1-(4-Aminophenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]-4-Hydroxy-Benzoyl]Amino]Benzoic Acid; 2-[[1-(4-Aminophenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]-5-[[[2-[[1-(4-Aminophenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]-4-Hydroxyphenyl]-Oxomethyl]Amino]Benzoic Acid; 2-[[1-(4-Aminophenyl)-5-Keto-3-Methyl-4H-Pyrazol-4-Yl]Azo]-5-[[2-[[1-(4-Aminophenyl)-5-Keto-3-Methyl-4H-Pyrazol-4-Yl]Azo]-4-Hydroxy-Benzoyl]Amino]Benzoic Acid
• Molecular Formula: C₃₄H₂₉N₁₁O₆
• Molecular Weight: 687.67
• CAS Registry Number: 84963-13-3
• EINECS: 284-813-8
• SMILES: C6=C(N5N=C(C(N=NC4=C(C(=O)NC3=CC(=C(N=NC1C(=O)N(N=C1C)C2=CC=C(N)C=C2)C=C3)C(=O)O)C=CC(=C4)O)C5=O)C)C=CC(=C6)N
• InChI: 1S/C34H29N11O6/c1-17-29(32(48)44(42-17)22-8-3-19(35)4-9-22)40-38-27-14-7-21(15-26(27)34(50)51)37-31(47)25-13-12-24(46)16-28(25)39-41-30-18(2)43-45(33(30)49)23-10-5-20(36)6-11-23/h3-16,29-30,46H,35-36H2,1-2H3,(H,37,47)(H,50,51)
• InChIKey: MKBSTXWFJZHRPL-UHFFFAOYSA-N

Properties

• Density: 1.573g/cm³ (Cal.)
• Boiling point: 978.102°C at 760 mmHg (Cal.)
• Flash point: 545.337°C (Cal.)