2-Benzyl-4-(2,6-difluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 861206-20-4
| CAS No. | 861206-20-4 |
| Molecular Formula | C16H13F2N3O |
| Molecular Weight | 301.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-Benzyl-4-(2,6-difluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-20-4) is a high-purity analytical reference standard with the molecular formula C16H13F2N3O and a molecular weight of 301.29 g/mol.
The molecular framework of 2-Benzyl-4-(2,6-difluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (C16H13F2N3O) is characterized by a nitrogen-containing heterocyclic scaffold, 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 presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-Benzyl-4-(2,6-difluorophenyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C16H13F2N3O |
| Molecular Weight | 301.29 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 |
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