5-Chloro-2-Hydroxy-3-[[3-Methyl-5-Oxo-1-(M-Sulphophenyl)-2-Pyrazolin-4-Yl]Azo]Benzenesulphonic Acid
[CAS# 29194-44-3]

Identification

• Name: 5-Chloro-2-Hydroxy-3-[[3-Methyl-5-Oxo-1-(M-Sulphophenyl)-2-Pyrazolin-4-Yl]Azo]Benzenesulphonic Acid
• Synonyms: 3-Chloro-5-[[3-Methyl-5-Oxo-1-(3-Sulfophenyl)-4H-Pyrazol-4-Yl]Hydrazinylidene]-6-Oxocyclohexa-1,3-Diene-1-Sulfonic Acid; 3-Chloro-5-[[3-Methyl-5-Oxo-1-(3-Sulfophenyl)-4H-Pyrazol-4-Yl]Hydrazono]-6-Oxo-Cyclohexa-1,3-Diene-1-Sulfonic Acid; (5E)-3-Chloro-5-[[3-Methyl-5-Oxo-1-(3-Sulfophenyl)-4H-Pyrazol-4-Yl]Hydrazono]-6-Oxo-Cyclohexa-1,3-Diene-1-Sulfonic Acid
• Molecular Formula: C₁₆H₁₃ClN₄O₈S₂
• Molecular Weight: 488.87
• CAS Registry Number: 29194-44-3
• EINECS: 249-498-3
• SMILES: C3=C(N2N=C(C(N\N=C1\C(=O)C(=CC(=C1)Cl)[S](O)(=O)=O)C2=O)C)C=CC=C3[S](O)(=O)=O
• InChI: 1S/C16H13ClN4O8S2/c1-8-14(19-18-12-5-9(17)6-13(15(12)22)31(27,28)29)16(23)21(20-8)10-3-2-4-11(7-10)30(24,25)26/h2-7,14,19H,1H3,(H,24,25,26)(H,27,28,29)/b18-12+
• InChIKey: YPJZSYAIICXHGZ-LDADJPATSA-N

Properties

• Density: 1.828g/cm³ (Cal.)