4-[(4-Amino-6-Chloro-1,3,5-Triazin-2-Yl)Amino]-2-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazol-4-Yl]Azo]Benzenesulphonic Acid
[CAS# 84100-04-9]

Identification

• Name: 4-[(4-Amino-6-Chloro-1,3,5-Triazin-2-Yl)Amino]-2-[[4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazol-4-Yl]Azo]Benzenesulphonic Acid
• Synonyms: 4-[(4-Amino-6-Chloro-1,3,5-Triazin-2-Yl)Amino]-2-[[3-Methyl-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazol-4-Yl]Azo]Benzenesulfonic Acid; 4-[(4-Amino-6-Chloro-S-Triazin-2-Yl)Amino]-2-[[5-Keto-3-Methyl-1-(4-Sulfophenyl)-4H-Pyrazol-4-Yl]Azo]Benzenesulfonic Acid; 4-((4-Amino-6-Chloro-1,3,5-Triazin-2-Yl)Amino)-2-((4,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazol-4-Yl)Azo)Benzenesulphonic Acid
• Molecular Formula: C₁₉H₁₆ClN₉O₇S₂
• Molecular Weight: 581.96
• CAS Registry Number: 84100-04-9
• EINECS: 282-085-6
• SMILES: C2=C(NC1=NC(=NC(=N1)N)Cl)C=CC(=C2N=NC3C(=O)N(N=C3C)C4=CC=C([S](=O)(=O)O)C=C4)[S](=O)(=O)O
• InChI: 1S/C19H16ClN9O7S2/c1-9-15(16(30)29(28-9)11-3-5-12(6-4-11)37(31,32)33)27-26-13-8-10(2-7-14(13)38(34,35)36)22-19-24-17(20)23-18(21)25-19/h2-8,15H,1H3,(H,31,32,33)(H,34,35,36)(H3,21,22,23,24,25)
• InChIKey: VEJQKVWMVKTOJJ-UHFFFAOYSA-N

Properties

• Density: 1.907g/cm³ (Cal.)