Methyl 2-[1-(3-chlorophenyl)-5-oxo-2,5-dihydro-1h-pyrazol-3-yl]acetate CAS 852956-37-7
| CAS No. | 852956-37-7 |
| Molecular Formula | C12H11ClN2O3 |
| Molecular Weight | 266.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 2-[1-(3-chlorophenyl)-5-oxo-2,5-dihydro-1h-pyrazol-3-yl]acetate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Methyl 2-[1-(3-chlorophenyl)-5-oxo-2,5-dihydro-1h-pyrazol-3-yl]acetate (CAS 852956-37-7), molecular formula C12H11ClN2O3 and molecular weight 266.68 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 2-[1-(3-chlorophenyl)-5-oxo-2,5-dihydro-1h-pyrazol-3-yl]acetate (C12H11ClN2O3) contains a nitrogen-containing heterocyclic scaffold, an amide 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Methyl 2-[1-(3-chlorophenyl)-5-oxo-2,5-dihydro-1h-pyrazol-3-yl]acetate 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 | C12H11ClN2O3 |
| Molecular Weight | 266.68 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- 2-(1-(2-Chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)acetic acid (CAS 1015844-43-5)
- 2-(1-(4-Chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl)acetic acid (CAS 1015844-49-1)
- 2-(5-(((4-Chlorophenyl)amino)methyl)-4H-1,2,4-triazol-3-yl)acetic acid (CAS 1087648-35-8)
- Methyl 2-(1-(2-chlorophenyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl)acetate (CAS 1158233-60-3)
- Methyl 2-(1-(3-chlorophenyl)-5-hydroxy-1H-pyrazol-3-yl)acetate (CAS 1158589-04-8)
- 1-(4-Chlorophenyl)-N-methyl-5-oxo-2,5-dihydro-1H-1,2,4-triazole-3-carboxamide (CAS 1300712-92-8)
- Ethyl 2-(4-chlorophenyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate (CAS 1326923-49-2)
- 1-(3-Chlorophenyl)-5-methoxy-4-methyl-1H-pyrazole-3-carboxylic acid (CAS 274253-32-6)
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