N-(3,4-difluorophenyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide CAS 861208-53-9
| CAS No. | 861208-53-9 |
| Molecular Formula | C12H9F2N3O3 |
| Molecular Weight | 281.21 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.
N-(3,4-difluorophenyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide (CAS 861208-53-9), molecular formula C12H9F2N3O3 and molecular weight 281.21 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-(3,4-difluorophenyl)-1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide (C12H9F2N3O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 281.21 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H9F2N3O3 |
| Molecular Weight | 281.21 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, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
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