5-Methyl-4-[(2E)-2-(3-Methylsulfonyl-4-Nitro-6-Oxo-1-Cyclohexa-2,4-Dienylidene)Hydrazinyl]-2-Phenyl-4H-Pyrazol-3-One
[CAS# 35954-29-1]

Identification

• Name: 5-Methyl-4-[(2E)-2-(3-Methylsulfonyl-4-Nitro-6-Oxo-1-Cyclohexa-2,4-Dienylidene)Hydrazinyl]-2-Phenyl-4H-Pyrazol-3-One
• Synonyms: 5-Methyl-4-[(N'e)-N'-(3-Methylsulfonyl-4-Nitro-6-Oxo-1-Cyclohexa-2,4-Dienylidene)Hydrazino]-2-Phenyl-4H-Pyrazol-3-One; 4-[(N'e)-N'-(6-Keto-3-Mesyl-4-Nitro-1-Cyclohexa-2,4-Dienylidene)Hydrazino]-5-Methyl-2-Phenyl-4H-Pyrazol-3-One; 2,4-Dihydro-4-((2-Hydroxy-5-(Methylsulphonyl)-4-Nitrophenyl)Azo)-5-Methyl-2-Phenyl-3H-Pyrazol-3-One
• Molecular Formula: C₁₇H₁₅N₅O₆S
• Molecular Weight: 417.40
• CAS Registry Number: 35954-29-1
• EINECS: 252-814-2
• SMILES: C3=C(N2N=C(C(N\N=C\1C=C([S](=O)(=O)C)C(=CC1=O)[N+]([O-])=O)C2=O)C)C=CC=C3
• InChI: 1S/C17H15N5O6S/c1-10-16(17(24)21(20-10)11-6-4-3-5-7-11)19-18-12-8-15(29(2,27)28)13(22(25)26)9-14(12)23/h3-9,16,19H,1-2H3/b18-12+
• InChIKey: AZCOMJONHZTSAV-LDADJPATSA-N

Properties

• Density: 1.581g/cm³ (Cal.)
• Boiling point: 608.426°C at 760 mmHg (Cal.)
• Flash point: 321.764°C (Cal.)