3-Ethyl 4,5-Dihydro-1-(4-Methyl-2-Sulphophenyl)-5-Oxo-1H-Pyrazole-3-Carboxylate
[CAS# 83929-42-4]

Identification

• Name: 3-Ethyl 4,5-Dihydro-1-(4-Methyl-2-Sulphophenyl)-5-Oxo-1H-Pyrazole-3-Carboxylate
• Synonyms: 2-(3-Ethoxycarbonyl-5-Oxo-4H-Pyrazol-1-Yl)-5-Methyl-Benzenesulfonic Acid; 2-(3-Carbethoxy-5-Keto-4H-Pyrazol-1-Yl)-5-Methyl-Benzenesulfonic Acid; 3-Ethyl 4,5-Dihydro-1-(4-Methyl-2-Sulphophenyl)-5-Oxo-1H-Pyrazole-3-Carboxylate
• Molecular Formula: C₁₃H₁₄N₂O₆S
• Molecular Weight: 326.32
• CAS Registry Number: 83929-42-4
• EINECS: 281-338-8
• SMILES: C1=C(C=CC(=C1[S](=O)(=O)O)N2N=C(C(OCC)=O)CC2=O)C
• InChI: 1S/C13H14N2O6S/c1-3-21-13(17)9-7-12(16)15(14-9)10-5-4-8(2)6-11(10)22(18,19)20/h4-6H,3,7H2,1-2H3,(H,18,19,20)
• InChIKey: FYBOEGLGOBUULR-UHFFFAOYSA-N

Properties

• Density: 1.502g/cm³ (Cal.)