(2Z)-2-[(2-Chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl N-phenylcarbamate CAS 477858-52-9
| CAS No. | 477858-52-9 |
| Molecular Formula | C21H20ClFN2O2 |
| Molecular Weight | 386.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 386.85 g/mol gives (2Z)-2-[(2-Chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl N-phenylcarbamate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(2Z)-2-[(2-Chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl N-phenylcarbamate (CAS 477858-52-9), molecular formula C21H20ClFN2O2 and molecular weight 386.85 g/mol, is a CATO reference standard with documented purity and traceability.
(2Z)-2-[(2-Chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl N-phenylcarbamate (C21H20ClFN2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), (2Z)-2-[(2-Chloro-6-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-yl N-phenylcarbamate 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 | C21H20ClFN2O2 |
| Molecular Weight | 386.85 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 |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
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- Benzamide, 4-bromo-3-ethoxy-N-methoxy-N-methyl- (CAS 1960488-12-3)
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