3-[[1-(3-Chlorophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-4-Hydroxy-5-Nitrobenzenesulphonic Acid
[CAS# 23969-24-6]

Identification

• Name: 3-[[1-(3-Chlorophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-4-Hydroxy-5-Nitrobenzenesulphonic Acid
• Synonyms: (3E)-3-[[1-(3-Chlorophenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Hydrazono]-5-Nitro-4-Oxo-Cyclohexa-1,5-Diene-1-Sulfonic Acid; (3E)-3-[[1-(3-Chlorophenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Hydrazono]-5-Nitro-4-Oxo-1-Cyclohexa-1,5-Dienesulfonic Acid; (3E)-3-[[1-(3-Chlorophenyl)-5-Keto-3-Methyl-4H-Pyrazol-4-Yl]Hydrazono]-4-Keto-5-Nitro-Cyclohexa-1,5-Diene-1-Sulfonic Acid
• Molecular Formula: C₁₆H₁₂ClN₅O₇S
• Molecular Weight: 453.81
• CAS Registry Number: 23969-24-6
• EINECS: 245-958-2
• SMILES: C3=C(N2N=C(C(N\N=C\1C=C([S](O)(=O)=O)C=C([N+]([O-])=O)C1=O)C2=O)C)C=CC=C3Cl
• InChI: 1S/C16H12ClN5O7S/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(30(27,28)29)7-13(15(12)23)22(25)26/h2-7,14,19H,1H3,(H,27,28,29)/b18-12+
• InChIKey: MTXMHZLWNOROFP-LDADJPATSA-N

Properties

• Density: 1.777g/cm³ (Cal.)