| CAS No. | 400081-38-1 |
| Molecular Formula | C19H15F6N3O2 |
| Molecular Weight | 431.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
5-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1-(4-methylphenyl)-1H-1,2,4-triazole (CAS 400081-38-1), molecular formula C19H15F6N3O2 and molecular weight 431.33 g/mol, is a CATO reference standard with documented purity and traceability.
5-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-1-(4-methylphenyl)-1H-1,2,4-triazole (C19H15F6N3O2) 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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.
| Molecular Formula | C19H15F6N3O2 |
| Molecular Weight | 431.33 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |