Ethyl 2-[3,5-bis(trifluoromethyl)phenoxy]acetate CAS 87964-33-8
| CAS No. | 87964-33-8 |
| Molecular Formula | C12H10F6O3 |
| Molecular Weight | 316.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-[3,5-bis(trifluoromethyl)phenoxy]acetate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl 2-[3,5-bis(trifluoromethyl)phenoxy]acetate (CAS 87964-33-8), molecular formula C12H10F6O3 and molecular weight 316.20 g/mol, is a CATO reference standard with documented purity and traceability.
Ethyl 2-[3,5-bis(trifluoromethyl)phenoxy]acetate (C12H10F6O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. 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. 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 | C12H10F6O3 |
| Molecular Weight | 316.20 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; 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.) | 1982 |
| Halogen Content | F-containing |
Recommended Standards
- Ethyl 2-(3,4-dichlorophenyl)-4-methylthiazole-5-carboxylate (CAS 317319-18-9)
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- 7-Methoxy-2,2-bis(trifluoromethyl)chroman-4-ol (CAS 609346-78-3)
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