4-(3-(Ethoxycarbonyl)-5-Oxo-4,5-Dihydropyrazol-1-Yl)Benzenesulfonic Acid
[CAS# 6402-06-8]

Identification

• Name: 4-(3-(Ethoxycarbonyl)-5-Oxo-4,5-Dihydropyrazol-1-Yl)Benzenesulfonic Acid
• Synonyms: 4-(3-Carbethoxy-5-Keto-4H-Pyrazol-1-Yl)Benzenesulfonic Acid; 1H-Pyrazole-3-Carboxylic Acid, 4,5-Dihydro-5-Oxo-1-(4-Sulfophenyl)-, 3-Ethyl Ester; 3-Ethyl 4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylate
• Molecular Formula: C₁₂H₁₂N₂O₆S
• Molecular Weight: 312.30
• CAS Registry Number: 6402-06-8
• EINECS: 229-016-8
• SMILES: C1=CC(=CC=C1[S](=O)(=O)O)N2N=C(C(=O)OCC)CC2=O
• InChI: 1S/C12H12N2O6S/c1-2-20-12(16)10-7-11(15)14(13-10)8-3-5-9(6-4-8)21(17,18)19/h3-6H,2,7H2,1H3,(H,17,18,19)
• InChIKey: ODFCMJFINVPRFA-UHFFFAOYSA-N

Properties

• Density: 1.545g/cm³ (Cal.)