3-Ethyl 4,5-Dihydro-5-Oxo-1-(2-Sulphophenyl)-1H-Pyrazole-3-Carboxylate
[CAS# 71401-58-6]

Identification

• Name: 3-Ethyl 4,5-Dihydro-5-Oxo-1-(2-Sulphophenyl)-1H-Pyrazole-3-Carboxylate
• Synonyms: 2-(3-Carbethoxy-5-Keto-4H-Pyrazol-1-Yl)Benzenesulfonic Acid; 3-Ethyl 4,5-Dihydro-5-Oxo-1-(2-Sulphophenyl)-1H-Pyrazole-3-Carboxylate
• Molecular Formula: C₁₂H₁₂N₂O₆S
• Molecular Weight: 312.30
• CAS Registry Number: 71401-58-6
• EINECS: 275-365-4
• SMILES: C1=CC=CC(=C1[S](=O)(=O)O)N2N=C(C(OCC)=O)CC2=O
• InChI: 1S/C12H12N2O6S/c1-2-20-12(16)8-7-11(15)14(13-8)9-5-3-4-6-10(9)21(17,18)19/h3-6H,2,7H2,1H3,(H,17,18,19)
• InChIKey: ZSUGVFBYVDWDDQ-UHFFFAOYSA-N

Properties

• Density: 1.545g/cm³ (Cal.)