(αE)-α-[[3-[3,5-bis(Trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]methylene]-5-pyrimidineacetamideDiscontinued CAS 1642300-52-4
| CAS No. | 1642300-52-4 |
| Molecular Formula | C17H10F6N6O |
| Molecular Weight | 428.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(αE)-α-[[3-[3,5-bis(Trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]methylene]-5-pyrimidineacetamideDiscontinued (CAS 1642300-52-4) is a high-purity analytical reference standard with the molecular formula C17H10F6N6O and a molecular weight of 428.29 g/mol.
(αE)-α-[[3-[3,5-bis(Trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl]methylene]-5-pyrimidineacetamideDiscontinued (C17H10F6N6O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
Physical & Chemical Properties
| Molecular Formula | C17H10F6N6O |
| Molecular Weight | 428.29 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 6 |
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