2-[2-(1-tert-Butyl-1H-pyrazole-4-carbonyl)phenoxy]-5-(trifluoromethyl)pyridine CAS 955976-65-5
| CAS No. | 955976-65-5 |
| Molecular Formula | C20H18F3N3O2 |
| Molecular Weight | 389.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 389.37 g/mol gives 2-[2-(1-tert-Butyl-1H-pyrazole-4-carbonyl)phenoxy]-5-(trifluoromethyl)pyridine distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-[2-(1-tert-Butyl-1H-pyrazole-4-carbonyl)phenoxy]-5-(trifluoromethyl)pyridine (CAS 955976-65-5) is a high-purity analytical reference standard with the molecular formula C20H18F3N3O2 and a molecular weight of 389.37 g/mol.
Based on its molecular formula C20H18F3N3O2, 2-[2-(1-tert-Butyl-1H-pyrazole-4-carbonyl)phenoxy]-5-(trifluoromethyl)pyridine contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 389.37 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C20H18F3N3O2 |
| Molecular Weight | 389.37 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 2-(4-(2-Fluorophenyl)piperazin-1-yl)-N-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)acetamide (CAS 227957-81-5)
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- 6-chloro-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide (CAS 1099139-86-2)
- 2-((4,5-Dihydro-1H-imidazol-2-yl)thio)acetic acid (CAS 19951-23-6)
- 4-((3-(Trifluoromethyl)phenyl)thio)aniline (CAS 339104-66-4)
- Semaglutide impurity 97 (CAS CATO-C4X-222697)
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