1-(2,5-Dichloro-4-Sulphophenyl)-3-Methyl-5-Pyrazolone
[CAS# 7253-04-5]

Identification

• Name: 1-(2,5-Dichloro-4-Sulphophenyl)-3-Methyl-5-Pyrazolone
• Synonyms: 1-(2,5-Dichloro-4-Sulfo-Phenyl)-5-Oxo-4H-Pyrazole-3-Carboxylic Acid; 1-(2,5-Dichloro-4-Sulfo-Phenyl)-5-Keto-4H-Pyrazole-3-Carboxylic Acid; Nsc62685
• Molecular Formula: C₁₀H₆Cl₂N₂O₆S
• Molecular Weight: 353.13
• CAS Registry Number: 7253-04-5
• SMILES: C1=C(Cl)C(=CC(=C1N2N=C(C(O)=O)CC2=O)Cl)[S](O)(=O)=O
• InChI: 1S/C10H6Cl2N2O6S/c11-4-2-8(21(18,19)20)5(12)1-7(4)14-9(15)3-6(13-14)10(16)17/h1-2H,3H2,(H,16,17)(H,18,19,20)
• InChIKey: YVFMPXVMGPZCRS-UHFFFAOYSA-N

Properties

• Density: 1.96g/cm³ (Cal.)