N-(3-bromo-5-chloro-2,6-dimethoxybenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea CAS 680579-33-3
| CAS No. | 680579-33-3 |
| Molecular Formula | C16H9BrClF5N2O4 |
| Molecular Weight | 503.60 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies N-(3-bromo-5-chloro-2,6-dimethoxybenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea (CAS 680579-33-3), a certified reference material (molecular formula C16H9BrClF5N2O4, MW 503.60 g/mol) for analytical method development and quality control.
The molecular framework of N-(3-bromo-5-chloro-2,6-dimethoxybenzoyl)-N'-(2,3,4,5,6-pentafluorophenyl)urea (C16H9BrClF5N2O4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine/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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C16H9BrClF5N2O4 |
| Molecular Weight | 503.60 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl/Br-containing |
| Nitrogen Atoms | 2 |
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