4-{[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl]methoxy}benzonitrile CAS 318959-27-2
| CAS No. | 318959-27-2 |
| Molecular Formula | C20H13F6N3O2 |
| Molecular Weight | 441.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-{[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl]methoxy}benzonitrile (CAS 318959-27-2), molecular formula C20H13F6N3O2 and molecular weight 441.33 g/mol, is a CATO reference standard with documented purity and traceability.
4-{[1-methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazol-4-yl]methoxy}benzonitrile (C20H13F6N3O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C20H13F6N3O2 |
| Molecular Weight | 441.33 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related methyl Standards
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- 3-[3,5-di(trifluoromethyl)phenyl]-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one (CAS 257284-94-9)
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- 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl N-(1,2,2-trichlorovinyl)carbamate (CAS 646989-49-3)
- 3-(Trifluoromethyl)-N-(4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)phenyl)benzamide (CAS 1024231-00-2)
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- 4-[Bis[4-(trifluoromethyl)phenyl]phosphino]benzoic Acid (CAS 1808959-36-5)
Recommended Standards
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- ((2R,3S,5R)-3-hydroxy-5-(4-(4-methoxybenzamido)-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate (CAS 32909-08-3)
- 5-(Benzenesulfonyl)-4-(2,4-dichlorophenyl)-2-phenylpyrimidine (CAS 339108-15-5)
- 2-Amino-4-(1H-benzoimidazol-2-yl)-butyric acid (CAS 91332-08-0)
- Nevirapine (CAS 129618-40-2)
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- 7-Bromo-3-methoxy-1H-indazole (CAS 1510316-42-3)
- 3-(3-(2H-Benzo[d][1,2,3]triazol-2-yl)-5-(tert-butyl)-4-hydroxyphenyl)propanoic acid (CAS 84268-36-0)
- Methyl 5-(2-methyloxiran-2-yl)thiophene-2-carboxylate (CAS 2229247-11-2)
- 1-(3-Butoxy-5-fluorophenyl)-2,2,2-trifluoroethan-1-one (CAS 1443305-64-3)
- 2-Bromo-4,6-dimethyl-pyridin-3-ylamine (CAS 104829-98-3)
- benzyl 6-bromo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylate (CAS 473737-32-5)
- Neuroendocrine Regulatory Peptide-1 (rat) (CAS 954420-51-0)
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