3-Methyl-4-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 861206-74-8
| CAS No. | 861206-74-8 |
| Molecular Formula | C18H13F6N3O |
| Molecular Weight | 401.31 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.
CATO supplies 3-Methyl-4-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 861206-74-8), a certified reference material (molecular formula C18H13F6N3O, MW 401.31 g/mol) for analytical method development and quality control.
3-Methyl-4-[3-(trifluoromethyl)phenyl]-1-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one (C18H13F6N3O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; 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).
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 | C18H13F6N3O |
| Molecular Weight | 401.31 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Methyl Standards
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Recommended Standards
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