3-[4-[[5-(1,1-Dimethylpropyl)-2-Hydroxy-3-Nitrophenyl]Azo]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonamide
[CAS# 93893-61-9]

Identification

• Name: 3-[4-[[5-(1,1-Dimethylpropyl)-2-Hydroxy-3-Nitrophenyl]Azo]-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonamide
• Synonyms: 3-[4-[(N'e)-N'-[3-(1,1-Dimethylpropyl)-5-Nitro-6-Oxo-1-Cyclohexa-2,4-Dienylidene]Hydrazino]-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonamide; 3-[4-[(N'e)-N'-(3-Tert-Amyl-6-Keto-5-Nitro-1-Cyclohexa-2,4-Dienylidene)Hydrazino]-5-Keto-3-Methyl-4H-Pyrazol-1-Yl
• Molecular Formula: C₂₁H₂₄N₆O₆S
• Molecular Weight: 488.52
• CAS Registry Number: 93893-61-9
• EINECS: 299-651-3
• SMILES: C3=C(N2N=C(C(N\N=C\1C=C(C(CC)(C)C)C=C([N+]([O-])=O)C1=O)C2=O)C)C=CC=C3[S](=O)(=O)N
• InChI: 1S/C21H24N6O6S/c1-5-21(3,4)13-9-16(19(28)17(10-13)27(30)31)23-24-18-12(2)25-26(20(18)29)14-7-6-8-15(11-14)34(22,32)33/h6-11,18,24H,5H2,1-4H3,(H2,22,32,33)/b23-16+
• InChIKey: PSUWPBYMAIDPPV-XQNSMLJCSA-N

Properties

• Density: 1.487g/cm³ (Cal.)
• Boiling point: 716.265°C at 760 mmHg (Cal.)
• Flash point: 386.983°C (Cal.)