Ethyl 3-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1H-pyrazole-5-carboxylate CAS 1338333-96-2
| CAS No. | 1338333-96-2 |
| Molecular Formula | C13H9ClF4N2O3 |
| Molecular Weight | 352.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Ethyl 3-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1H-pyrazole-5-carboxylate (CAS 1338333-96-2) is a high-purity analytical reference standard with the molecular formula C13H9ClF4N2O3 and a molecular weight of 352.67 g/mol.
The molecular framework of Ethyl 3-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1H-pyrazole-5-carboxylate (C13H9ClF4N2O3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), Ethyl 3-(2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy)-1H-pyrazole-5-carboxylate 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 | C13H9ClF4N2O3 |
| Molecular Weight | 352.67 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
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