1-[2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine CAS 219599-99-2
| CAS No. | 219599-99-2 |
| Molecular Formula | C13H19F3N4 |
| Molecular Weight | 288.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-[2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine (CAS 219599-99-2) is a high-purity analytical reference standard with the molecular formula C13H19F3N4 and a molecular weight of 288.31 g/mol.
Based on its molecular formula C13H19F3N4, 1-[2-(tert-Butyl)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 288.31 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
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.
Physical & Chemical Properties
| Molecular Formula | C13H19F3N4 |
| Molecular Weight | 288.31 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2019 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
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