5-[(5-Chloro-2-Fluoro-6-Methyl-4-Pyrimidinyl)Amino]-4-Hydroxy-3-[(2-Sulphophenyl)Azo]Naphthalene-2,7-Disulphonic Acid, Sodium Salt
[CAS# 83400-17-3]

Identification

• Name: 5-[(5-Chloro-2-Fluoro-6-Methyl-4-Pyrimidinyl)Amino]-4-Hydroxy-3-[(2-Sulphophenyl)Azo]Naphthalene-2,7-Disulphonic Acid, Sodium Salt
• Synonyms: Trisodium (3Z)-5-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-4-Oxo-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate; Trisodium (3Z)-5-[(5-Chloro-2-Fluoro-6-Methyl-4-Pyrimidinyl)Amino]-4-Oxo-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate; Trisodium (3Z)-5-[(5-Chloro-2-Fluoro-6-Methyl-Pyrimidin-4-Yl)Amino]-4-Keto-3-[(2-Sulfonatophenyl)Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₁H₁₂ClFN₅Na₃O₁₀S₃
• Molecular Weight: 713.95
• CAS Registry Number: 83400-17-3
• EINECS: 280-433-1
• SMILES: C2=C([S]([O-])(=O)=O)C=C(NC1=NC(=NC(=C1Cl)C)F)C4=C2C=C([S]([O-])(=O)=O)\C(=N/NC3=CC=CC=C3[S]([O-])(=O)=O)C4=O.[Na+].[Na+].[Na+]
• InChI: 1S/C21H15ClFN5O10S3.3Na/c1-9-17(22)20(26-21(23)24-9)25-13-8-11(39(30,31)32)6-10-7-15(41(36,37)38)18(19(29)16(10)13)28-27-12-4-2-3-5-14(12)40(33,34)35;;;/h2-8,27H,1H3,(H,24,25,26)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b28-18+
• InChIKey: RLSQQVHVWPEPHQ-SPFPQBDISA-K