2-(4-Chloro-2-methylphenoxy)-2,2-difluoro-N-isopropylacetamide CAS 400087-83-4
| CAS No. | 400087-83-4 |
| Molecular Formula | C12H14ClF2NO2 |
| Molecular Weight | 277.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(4-Chloro-2-methylphenoxy)-2,2-difluoro-N-isopropylacetamide (CAS 400087-83-4), molecular formula C12H14ClF2NO2 and molecular weight 277.69 g/mol, is a CATO reference standard with documented purity and traceability.
2-(4-Chloro-2-methylphenoxy)-2,2-difluoro-N-isopropylacetamide (C12H14ClF2NO2) contains a nitrogen-containing heterocyclic scaffold, an amide 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 | C12H14ClF2NO2 |
| Molecular Weight | 277.69 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 1-Ethyl-5-methoxy-2-methyl-1h-indole-3-carboxylic acid (CAS 100372-60-9)
- 9,10-Bis(4-ethoxyphenyl)-2-chloroanthracene (CAS 135965-21-8)
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- 6-Chloro-5-methoxy-2-methyl-4-morpholinopyridazin-3(2H)-one (CAS 61365-89-7)
- 3-Hydroxy-2-methoxy-N,N-dimethylbenzamide (CAS 1243457-92-2)
- Liraglutide Impurity 28 (CAS CATO-C4X-199228)
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