2-[5-[[2-(Acetoxy)Ethyl]Sulphonyl]-2-Methoxyphenyl]-2,4-Dihydro-5-Methyl-4-[(2-Nitrophenyl)Azo]-3H-Pyrazol-3-One
[CAS# 84100-10-7]

Identification

• Name: 2-[5-[[2-(Acetoxy)Ethyl]Sulphonyl]-2-Methoxyphenyl]-2,4-Dihydro-5-Methyl-4-[(2-Nitrophenyl)Azo]-3H-Pyrazol-3-One
• Synonyms: 2-[4-Methoxy-3-[3-Methyl-4-(2-Nitrophenyl)Azo-5-Oxo-4H-Pyrazol-1-Yl]Phenyl]Sulfonylethyl Acetate; Acetic Acid 2-[4-Methoxy-3-[3-Methyl-4-(2-Nitrophenyl)Azo-5-Oxo-4H-Pyrazol-1-Yl]Phenyl]Sulfonylethyl Ester; Acetic Acid 2-[3-[5-Keto-3-Methyl-4-(2-Nitrophenyl)Azo-4H-Pyrazol-1-Yl]-4-Methoxy-Phenyl]Sulfonylethyl Ester
• Molecular Formula: C₂₁H₂₁N₅O₈S
• Molecular Weight: 503.49
• CAS Registry Number: 84100-10-7
• EINECS: 282-091-9
• SMILES: C1=C([S](=O)(=O)CCOC(=O)C)C=CC(=C1N3N=C(C(N=NC2=C([N+]([O-])=O)C=CC=C2)C3=O)C)OC
• InChI: 1S/C21H21N5O8S/c1-13-20(23-22-16-6-4-5-7-17(16)26(29)30)21(28)25(24-13)18-12-15(8-9-19(18)33-3)35(31,32)11-10-34-14(2)27/h4-9,12,20H,10-11H2,1-3H3
• InChIKey: SRCABEWMQJCWJZ-UHFFFAOYSA-N

Properties

• Density: 1.48g/cm³ (Cal.)
• Boiling point: 749.469°C at 760 mmHg (Cal.)
• Flash point: 407.064°C (Cal.)