1-(2-Chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid CAS 125437-42-5
| CAS No. | 125437-42-5 |
| Molecular Formula | C11H9ClN2O6S |
| Molecular Weight | 332.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(2-Chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-(2-Chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid (CAS 125437-42-5), molecular formula C11H9ClN2O6S and molecular weight 332.72 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-(2-Chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid (C11H9ClN2O6S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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-(2-Chloro-6-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid 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 | C11H9ClN2O6S |
| Molecular Weight | 332.72 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 1-[(2-Chloro-4-fluorophenyl)methyl]-5-(pyridin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid (CAS 1338667-52-9)
- 2-chloro-N-{4-[(trifluoromethyl)sulfanyl]phenyl}nicotinamide (CAS 1023562-09-5)
- Ethyl 1-(4-chloro-3-(trifluoromethyl)benzyl)-1H-imidazole-4-carboxylate (CAS 1260655-20-6)
- (Z)-(1-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-imidazol-4-yl}ethylidene)(methoxy)amine (CAS 250714-17-1)
- N-[2-Chloro-4-(methoxymethyl)-6-methylquinolin-7-yl]-2,2,2-trifluoroacetamide (CAS 866050-47-7)
- 8-Chloro-1,3-dimethyl-7-(2-oxo-2-phenylethyl)-3,7-dihydro-1h-purine-2,6-dione (CAS 109407-25-2)
- 2-((6-Chloro-2-(4-methoxyphenyl)-1H-benzo[d]imidazol-1-yl)oxy)acetic acid (CAS 338978-98-6)
- 3-(5-Chloro-2-hydroxyphenyl)-5-(4-hydroxybenzyl)imidazolidine-2,4-dione (CAS 5570-39-8)
Recommended Standards
- Ataluren Impurity 15 (CAS CATO-C4X-300615)
- Olaparib Impurity 119 (CAS CATO-C4X-1135119)
- 5-(2-Aminopyrimidin-4-yl)-2-(2-chloro-5-fluorophenyl)-1H-pyrrole-3-carboxylic acid (CAS 951784-17-1)
- 5-(2-Aminopyrimidin-4-yl)-2-(4-chloro-2-fluorophenyl)-1H-pyrrole-3-carboxylic acid (CAS 951784-19-3)
- 7-(Trifluoromethoxy)-1H-indazole (CAS 2244087-63-4)
- 3-Hydroxy-1-phenylcyclobutane-1-carbonitrile (CAS 60788-57-0)
- Methyl 4-chloro-6,8-difluoroquinoline-2-carboxylate (CAS 887589-39-1)
- 1-(3-Isopropylisoxazol-5-yl)ethanol (CAS 301168-22-9)
- (2-Chloro-6-fluoro-3-methoxyphenyl)methanamine (CAS 886761-60-0)
- Z-5-tetradecen-1-ylacetate (CAS 35153-13-0)
- Sitagliptin (CAS 486460-32-6)
- Tos-Pro-OH (CAS 51077-01-1)
- Ethyl 2-(3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl)thiazole-4-carboxylate (CAS 955975-47-0)
- Semaglutide (CAS CATO-C4X-2226105)
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