5-Chloro-1-methyl-N-(4-(trifluoromethoxy)phenyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide CAS 321533-83-9
| CAS No. | 321533-83-9 |
| Molecular Formula | C13H8ClF6N3O2 |
| Molecular Weight | 387.66 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 5-Chloro-1-methyl-N-(4-(trifluoromethoxy)phenyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
5-Chloro-1-methyl-N-(4-(trifluoromethoxy)phenyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CAS 321533-83-9) is a high-purity analytical reference standard with the molecular formula C13H8ClF6N3O2 and a molecular weight of 387.66 g/mol.
Structurally, 5-Chloro-1-methyl-N-(4-(trifluoromethoxy)phenyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (C13H8ClF6N3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 387.66 g/mol, it falls into the moderately-high-molecular-weight range. 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C13H8ClF6N3O2 |
| Molecular Weight | 387.66 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.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
- Benzyl (2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate (CAS 1218791-42-4)
- Ethyl 1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 1823184-24-2)
- Ethyl 1-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 1823188-20-0)
- ethyl 5-chloro-1-[3,5-di(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate (CAS 287923-49-3)
- 7-Chloro-3-(2,4-dichloro-5-methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 339014-85-6)
- 3-(4-chloro-5-iodo-7-isopropyl-pyrrolo[2,3-d]pyrimidin-6-yl)propan-1-ol (CAS 2306277-17-6)
- 5-Chloro-1-(2,6-dichlorobenzyl)-N,N-diethyl-6-oxo-1,6-dihydropyridine-3-carboxamide (CAS 339024-04-3)
- 5-Chloro-1-[(2,6-dichlorophenyl)methyl]-N,N-diethyl-2-oxo-1,2-dihydropyridine-3-carboxamide (CAS 339023-95-9)
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- Mometasone Impurity 49 (CAS CATO-C4X-170449)
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