5-Fluoro-3-(2-methylbenzoyl)pyrimidine-2,4(1H,3H)-dione CAS 68426-52-8
| CAS No. | 68426-52-8 |
| Molecular Formula | C12H9FN2O3 |
| Molecular Weight | 248.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Fluoro-3-(2-methylbenzoyl)pyrimidine-2,4(1H,3H)-dione (C12H9FN2O3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
5-Fluoro-3-(2-methylbenzoyl)pyrimidine-2,4(1H,3H)-dione (CAS 68426-52-8), molecular formula C12H9FN2O3 and molecular weight 248.21 g/mol, is a CATO reference standard with documented purity and traceability.
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.
As a certified reference material (CRM), 5-Fluoro-3-(2-methylbenzoyl)pyrimidine-2,4(1H,3H)-dione 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.
Physical & Chemical Properties
| Molecular Formula | C12H9FN2O3 |
| Molecular Weight | 248.21 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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.) | 1976 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Fluoro Standards
- Methyl 2-fluoro-5-(2-hydroxypyrimidin-5-yl)benzoate (CAS 1111104-18-7)
- Methyl 2-fluoro-4-(2-hydroxypyrimidin-5-yl)benzoate (CAS 1111113-61-1)
- Methyl 3-fluoro-4-(2-hydroxypyrimidin-5-yl)benzoate (CAS 1111113-69-9)
- 3-((4-Fluoro-2-nitrophenoxy)methyl)pyridine (CAS 1140039-71-9)
- 4-(4-Fluoro-2-hydroxyphenyl)-3-hydroxybenzoic acid (CAS 1261956-28-8)
- Methyl 3-fluoro-5-(2-hydroxypyrimidin-5-yl)benzoate (CAS 1261987-03-4)
- Methyl 4-fluoro-3-(2-hydroxypyrimidin-5-yl)benzoate (CAS 1261991-57-4)
- 9-Fluoro-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-2-carboxylic acid (CAS 1282517-43-4)
Recommended Standards
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- (S)-2-((4-Chlorophenyl)(piperidin-4-yloxy)methyl)pyridine (CAS 201594-84-5)
- 4-Amino-2,2-dimethylbutan-1-ol hydrochloride (CAS 1131570-13-2)
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