N-(3,5-bis(trifluoromethyl)phenyl)-3-((2,4-dichlorobenzyl)oxy)thiophene-2-carboxamide CAS 339098-11-2
| CAS No. | 339098-11-2 |
| Molecular Formula | C20H11Cl2F6NO2S |
| Molecular Weight | 514.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-(3,5-bis(trifluoromethyl)phenyl)-3-((2,4-dichlorobenzyl)oxy)thiophene-2-carboxamide (CAS 339098-11-2), molecular formula C20H11Cl2F6NO2S and molecular weight 514.27 g/mol, is a CATO reference standard with documented purity and traceability.
N-(3,5-bis(trifluoromethyl)phenyl)-3-((2,4-dichlorobenzyl)oxy)thiophene-2-carboxamide (C20H11Cl2F6NO2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C20H11Cl2F6NO2S |
| Molecular Weight | 514.27 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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 | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
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