5-Fluoro-6-(phenylamino)pyrimidine-2,4(1H,3H)-dione CAS 105950-49-0
| CAS No. | 105950-49-0 |
| Molecular Formula | C10H8FN3O2 |
| Molecular Weight | 221.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Fluoro-6-(phenylamino)pyrimidine-2,4(1H,3H)-dione (CAS 105950-49-0), molecular formula C10H8FN3O2 and molecular weight 221.19 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Fluoro-6-(phenylamino)pyrimidine-2,4(1H,3H)-dione (C10H8FN3O2) 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 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 221.19 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C10H8FN3O2 |
| Molecular Weight | 221.19 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-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) | 8.0 |
| 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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Recommended Standards
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- 5-(Aminomethyl)-N,N-dimethylthiophene-2-sulfonamide (CAS 923246-98-4)
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- Peptide Impurity 09 X TFA Salt (CAS CATO-CPTD788809)
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