| CAS No. | 860644-56-0 |
| Molecular Formula | C15H9BrClF3N4O |
| Molecular Weight | 433.61 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
4-(4-Bromophenyl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 860644-56-0) is a high-purity analytical reference standard with the molecular formula C15H9BrClF3N4O and a molecular weight of 433.61 g/mol.
Based on its molecular formula C15H9BrClF3N4O, 4-(4-Bromophenyl)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 433.61 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C15H9BrClF3N4O |
| Molecular Weight | 433.61 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/Cl/Br-containing |
| Nitrogen Atoms | 4 |