1-((4-Chlorophenyl)sulfonyl)-4-(2-hydroxyethyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one CAS 866040-21-3
| CAS No. | 866040-21-3 |
| Molecular Formula | C18H17ClN2O4S |
| Molecular Weight | 392.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-((4-Chlorophenyl)sulfonyl)-4-(2-hydroxyethyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one.
1-((4-Chlorophenyl)sulfonyl)-4-(2-hydroxyethyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (CAS 866040-21-3), molecular formula C18H17ClN2O4S and molecular weight 392.86 g/mol, is a CATO reference standard with documented purity and traceability.
1-((4-Chlorophenyl)sulfonyl)-4-(2-hydroxyethyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (C18H17ClN2O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 1-((4-Chlorophenyl)sulfonyl)-4-(2-hydroxyethyl)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C18H17ClN2O4S |
| Molecular Weight | 392.86 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 2-((4-(((4-Chlorophenyl)methyl)sulfonamido)but-2-yn-1-yl)oxy)benzamide (CAS 1448031-19-3)
- N-(4-(3-((4-Chlorophenyl)sulfonyl)azetidine-1-carbonyl)phenyl)acetamide (CAS 1448136-62-6)
- 2-(((2-Chlorophenyl)thio)methyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CAS 869357-04-0)
- 1-[(4-Chlorophenyl)methyl]-3-{2-[(4-fluorophenyl)methoxy]phenyl}-1H-pyrazole (CAS 477713-50-1)
- 2-((4-Chlorophenyl)sulfinyl)-1,1-bis(4-fluorophenyl)ethanol (CAS 303152-28-5)
- 2-((4-Chlorophenyl)sulfonyl)-N-(4-phenylthiazol-2-yl)acetamide (CAS 338965-88-1)
- 5-(4-Chlorophenyl)-2-(4-(4-methoxyphenyl)piperazin-1-yl)-1H-pyrrole-3-carbonitrile (CAS 338396-65-9)
- N-[(4-Chlorophenyl)methyl]-2,7-dimethyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxamide (CAS 338751-40-9)
Recommended Standards
- 1-(Phenylsulfonyl)piperidin-4-one O-(3-chlorobenzoyl) oxime (CAS 477847-27-1)
- 1-(Phenylsulfonyl)piperidin-4-one O-(4-chlorobenzoyl) oxime (CAS 477847-24-8)
- 7-(Chlorodifluoromethyl)-2-(3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl)-5-methylpyrazolo[1,5-a]pyrimidine (CAS 672949-51-8)
- 3-(2-((4-Chlorobenzyl)oxy)phenyl)-1-(4-fluorobenzyl)-1H-pyrazole (CAS 956755-21-8)
- rac-BINAP Pd G4 (CAS 1599466-90-6)
- Ethyl 2-(4-oxo-4,5-dihydro-1H-benzo[b][1,4]diazepin-2-yl)acetate (CAS 91806-95-0)
- 2-(2,4-Difluorophenoxy)-5-(trifluoromethyl)benzonitrile (CAS 477867-07-5)
- Methyl 2-(2-aminoethyl)-6-chloroisonicotinate (CAS 1393566-39-6)
- 5-Chloro-2-isocyanato-1,3-diisopropylbenzene (CAS 63520-60-5)
- 3-Chloro-2-fluoro-4-(methylthio)pyridine (CAS 1823323-05-2)
- 1-(6-(3,4-Dihydroquinolin-1(2H)-yl)-4-methylpyridin-3-yl)ethan-1-ol (CAS 1355180-99-2)
- 3-(2,4-Dimethoxyphenyl)-5-methyl-4,5-dihydroisoxazole-5-carboxylic acid (CAS 1326815-06-8)
- 3-(tert-Butoxy)-2-methyl-3-oxopropanoic acid (CAS 37472-52-9)
- Semaglutide impurity 96 (CAS CATO-C4X-222696)
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