5-{[2-(4-bromo-2-fluorophenoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione CAS 477856-89-6
| CAS No. | 477856-89-6 |
| Molecular Formula | C17H10BrFN2O4 |
| Molecular Weight | 405.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-{[2-(4-bromo-2-fluorophenoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
5-{[2-(4-bromo-2-fluorophenoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione (CAS 477856-89-6) is a high-purity analytical reference standard with the molecular formula C17H10BrFN2O4 and a molecular weight of 405.17 g/mol.
The molecular framework of 5-{[2-(4-bromo-2-fluorophenoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione (C17H10BrFN2O4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C17H10BrFN2O4 |
| Molecular Weight | 405.17 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 3-Cyano-6-(2,4-dichlorophenyl)pyridin-2-yl 2,6-difluorobenzoate (CAS 400075-80-1)
- Ethyl 4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 17994-56-8)
- 3,5-Dimethyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CAS 1286695-57-5)
- (4,4-Difluoro-1-methylpyrrolidin-3-yl)methanol (CAS 1784503-73-6)
- 5-((4-Bromophenyl)thio)-4-(chloromethyl)-1-methyl-3-phenyl-1H-pyrazole (CAS 318959-24-9)
- Moxifloxacin EP Impurity D HCl (CAS 2252446-69-6)
- 【禁售不询】Midazolam (CAS 59467-70-8)
- N-(6-Fluoro-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)furan-2-carboxamide (CAS 864976-44-3)
- 5-Chloro-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CAS 2055901-35-2)
- (3,5-Difluorophenyl)(4-methoxy-3,5-dimethylphenyl)methanone (CAS 844885-20-7)
- DAPK Substrate Peptide (CAS 386769-53-5)
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