4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
4-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonic acid
Also Known As: 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid|4-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid|4-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl]benzenesulfonic Acid|4-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonic acid
CAS: 6531-06-2
| Molecular Formula | C21H17ClN2O3S |
|---|---|
| Molecular Weight | 412.06485 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.06485 |
| Monoisotopic Mass | 412.06485 |
| Heavy Atoms | 28 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 6531-06-2 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=CC=C4 |
| InChIKey | DNEVQXXTGYPYTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Specialty Chemicals (1 patents)
Textile Chemicals (1 patents)
Product Overview
4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 6531-06-2), with molecular formula C21H17ClN2O3S and molecular weight 412.06485 g/mol. IUPAC: 4-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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