| CAS No. | 339029-74-2 |
| Molecular Formula | C18H15ClF3N3O |
| Molecular Weight | 381.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(morpholin-4-yl)-2-phenylacetonitrile (CAS 339029-74-2), molecular formula C18H15ClF3N3O and molecular weight 381.78 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C18H15ClF3N3O, 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(morpholin-4-yl)-2-phenylacetonitrile contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 381.78 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
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 | C18H15ClF3N3O |
| Molecular Weight | 381.78 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.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |