4-[2-({4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethoxy]-4-oxobutanoic acid
[CAS# 94094-37-8]

Identification

• Name: 4-[2-({4-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl}sulfonyl)ethoxy]-4-oxobutanoic acid
• Synonyms: [2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethyl] hydrogen succinate
• Molecular Formula: C₂₁H₂₁ClN₂O₆S
• Molecular Weight: 464.92
• CAS Registry Number: 94094-37-8
• EINECS: 302-137-4
• SMILES: OC(=O)CCC(=O)OCCS(=O)(=O)c1ccc(cc1)N2CCC(=N2)c3ccc(Cl)cc3
• InChI: 1S/C21H21ClN2O6S/c22-16-3-1-15(2-4-16)19-11-12-24(23-19)17-5-7-18(8-6-17)31(28,29)14-13-30-21(27)10-9-20(25)26/h1-8H,9-14H2,(H,25,26)
• InChIKey: MXCCYYLUOIVZLE-UHFFFAOYSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 708.726°C at 760 mmHg (Cal.)
• Flash point: 382.424°C (Cal.)