| CAS No. | 866049-69-6 |
| Molecular Formula | C18H14F3N3O4 |
| Molecular Weight | 393.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
As a certified reference material (CRM), 1,3-Dimethyl-5-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione 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.
1,3-Dimethyl-5-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 866049-69-6), molecular formula C18H14F3N3O4 and molecular weight 393.32 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1,3-Dimethyl-5-({1-[4-(trifluoromethoxy)phenyl]-1H-pyrrol-2-yl}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione (C18H14F3N3O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 393.32 g/mol, it falls into the moderately-high-molecular-weight range. 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.
| Molecular Formula | C18H14F3N3O4 |
| Molecular Weight | 393.32 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, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |