Reactive Yellow 39
[CAS 12226-61-8]

Identification

• Name: Reactive Yellow 39
• Synonyms: Disodium 4-[4-[5-(2-Bromoprop-2-Enoylamino)-2-Sulfonato-Phenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]-2,5-Dichloro-Benzenesulfonate; Disodium 4-[4-[5-[(2-Bromo-1-Oxoprop-2-Enyl)Amino]-2-Sulfonatophenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]-2,5-Dichlorobenzenesulfonate; Disodium 4-[4-[5-[(2-Bromoacryloyl)Amino]-2-Sulfonato-Phenyl]Azo-5-Keto-3-Methyl-4H-Pyrazol-1-Yl]-2,5-Dichloro-Benzenesulfonate
• Molecular Formula: C₁₉H₁₂BrCl₂N₅Na₂O₈S₂
• Molecular Weight: 699.24
• CAS Registry Number: 12226-61-8
• SMILES: C1=C(Cl)C(=CC(=C1N3N=C(C(N=NC2=CC(=CC=C2[S]([O-])(=O)=O)NC(=O)C(Br)=C)C3=O)C)Cl)[S]([O-])(=O)=O.[Na+].[Na+]
• InChI: 1S/C19H14BrCl2N5O8S2.2Na/c1-8(20)18(28)23-10-3-4-15(36(30,31)32)13(5-10)24-25-17-9(2)26-27(19(17)29)14-6-12(22)16(7-11(14)21)37(33,34)35;;/h3-7,17H,1H2,2H3,(H,23,28)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2
• InChIKey: JVURCOFLRNSPQI-UHFFFAOYSA-L