3-Methyl-4-phenyl-1-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one CAS 861206-15-7
| CAS No. | 861206-15-7 |
| Molecular Formula | C17H14F3N3O |
| Molecular Weight | 333.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Methyl-4-phenyl-1-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Methyl-4-phenyl-1-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 861206-15-7), molecular formula C17H14F3N3O and molecular weight 333.31 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-Methyl-4-phenyl-1-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one (C17H14F3N3O) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C17H14F3N3O |
| Molecular Weight | 333.31 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 |
| 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 |
Recommended Standards
- 2-(Morpholin-4-yl)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CAS 95640-21-4)
- 4,6-Dimethyl-N-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)quinazolin-2-amine (CAS 673493-85-1)
- 1-Benzyl-3-methyl-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 861206-70-4)
- 5-Methyl-2-(pyrazin-2-yl)thiazol-4-yl 2,4-difluorobenzoate (CAS 338409-35-1)
- N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine (CAS 380349-35-9)
- Ascorbic Acid Sodium Salt (Vitamin C Sodium Salt) (CAS 134-03-2)
- 2-Chloro-1,3,4-thiadiazole (CAS 52819-57-5)
- 4-Ethyl-5-(pyrazin-2-yl)-4h-1,2,4-triazole-3-thiol (CAS 37545-29-2)
- 3-BRomo-4-nitrothiophene (CAS 39920-21-3)
- 5-Chloro-6-methoxy-2,3-dihydro-1H-inden-1-amine (CAS 727650-54-6)
- N-[(1-Propylpiperidin-2-yl)methyl]propan-1-amine (CAS 901586-07-0)
- 3-(4-Chlorophenyl)-2-thiomethylpropiophenone (CAS 898787-79-6)
- Ethyl 8-hydroxyquinoline-3-carboxylate (CAS 122855-37-2)
- Tirzepatide Impurity 49 (CAS CATO-C4X-324049)
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