Disodium 2-[4-[4-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]Phenyl]Diazenyl-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzene-1,4-Disulfonate
[CAS# 72139-22-1]

Identification

• Name: Disodium 2-[4-[4-[(5-Chloro-2,6-Difluoropyrimidin-4-Yl)Amino]Phenyl]Diazenyl-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzene-1,4-Disulfonate
• Synonyms: Disodium 2-[4-[4-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]Phenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzene-1,4-Disulfonate; Disodium 2-[4-[4-[(5-Chloro-2,6-Difluoro-4-Pyrimidinyl)Amino]Phenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzene-1,4-Disulfonate; Disodium 2-[4-[4-[(5-Chloro-2,6-Difluoro-Pyrimidin-4-Yl)Amino]Phenyl]Azo-5-Keto-3-Methyl-4H-Pyrazol-1-Yl]Benzene-1,4-Disulfonate
• Molecular Formula: C₂₀H₁₂ClF₂N₇Na₂O₇S₂
• Molecular Weight: 645.91
• CAS Registry Number: 72139-22-1
• EINECS: 276-378-8
• SMILES: C4=C(N3N=C(C(N=NC2=CC=C(NC1=NC(=NC(=C1Cl)F)F)C=C2)C3=O)C)C(=CC=C4[S]([O-])(=O)=O)[S]([O-])(=O)=O.[Na+].[Na+]
• InChI: 1S/C20H14ClF2N7O7S2.2Na/c1-9-16(19(31)30(29-9)13-8-12(38(32,33)34)6-7-14(13)39(35,36)37)28-27-11-4-2-10(3-5-11)24-18-15(21)17(22)25-20(23)26-18;;/h2-8,16H,1H3,(H,24,25,26)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2
• InChIKey: NGHBKVPQCGDWEU-UHFFFAOYSA-L