N-(2-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)-3-(trifluoromethyl)benzamide CAS 956795-31-6
| CAS No. | 956795-31-6 |
| Molecular Formula | C18H9F9N4O |
| Molecular Weight | 468.28 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.
N-(2-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)-3-(trifluoromethyl)benzamide (CAS 956795-31-6), molecular formula C18H9F9N4O and molecular weight 468.28 g/mol, is a CATO reference standard with documented purity and traceability.
N-(2-(3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)-3-(trifluoromethyl)benzamide (C18H9F9N4O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point; 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.
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 | C18H9F9N4O |
| Molecular Weight | 468.28 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| 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 | 4 |
Recommended Standards
- 3-Chloro-2-({7-[(Z)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-5-(trifluoromethyl)pyridine (CAS 477885-63-5)
- Trimethoxy(1H,1H,2H,2H-tridecafluoro-n-octyl)silane (CAS 85857-16-5)
- 2-(2,4-Dichlorophenoxy)-N-({[4-(trifluoromethoxy)phenyl]carbamothioyl}amino)propanamide (CAS 1024372-58-4)
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