Sodium 2-[[[3-[4,5-Dihydro-4-[(2-Hydroxy-4-Nitrophenyl)Azo]-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Phenyl]Sulphonyl]Amino]Benzoate
[CAS# 6054-90-6]

Identification

• Name: Sodium 2-[[[3-[4,5-Dihydro-4-[(2-Hydroxy-4-Nitrophenyl)Azo]-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Phenyl]Sulphonyl]Amino]Benzoate
• Synonyms: Sodium 2-[[3-[3-Methyl-4-[(N'e)-N'-(4-Nitro-6-Oxo-1-Cyclohexa-2,4-Dienylidene)Hydrazino]-5-Oxo-4H-Pyrazol-1-Yl]Phenyl]Sulfonylamino]Benzoate; Sodium 2-[[3-[5-Keto-4-[(N'e)-N'-(6-Keto-4-Nitro-1-Cyclohexa-2,4-Dienylidene)Hydrazino]-3-Methyl-4H-Pyrazol-1-Yl]Phenyl]Sulfonylamino]Benzoate
• Molecular Formula: C₂₃H₁₇N₆NaO₈S
• Molecular Weight: 560.47
• CAS Registry Number: 6054-90-6
• EINECS: 227-974-1
• SMILES: C3=C(N2N=C(C(N\N=C1\C(=O)C=C([N+]([O-])=O)C=C1)C2=O)C)C=CC=C3[S](=O)(=O)NC4=CC=CC=C4C([O-])=O.[Na+]
• InChI: 1S/C23H18N6O8S.Na/c1-13-21(25-24-19-10-9-15(29(34)35)12-20(19)30)22(31)28(26-13)14-5-4-6-16(11-14)38(36,37)27-18-8-3-2-7-17(18)23(32)33;/h2-12,21,25,27H,1H3,(H,32,33);/q;+1/p-1/b24-19+
• InChIKey: BCDIFVGDCSKGLG-UUWMJBOLSA-M

Properties

• Boiling point: 802.6°C at 760 mmHg (Cal.)
• Flash point: 439.2°C (Cal.)