tert-Butyl (2-bromo-4-trifluoromethylphenoxy)acetate CAS 779331-60-1
| CAS No. | 779331-60-1 |
| Molecular Formula | C13H14BrF3O3 |
| Molecular Weight | 355.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), tert-Butyl (2-bromo-4-trifluoromethylphenoxy)acetate 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.
tert-Butyl (2-bromo-4-trifluoromethylphenoxy)acetate (CAS 779331-60-1) is a high-purity analytical reference standard with the molecular formula C13H14BrF3O3 and a molecular weight of 355.15 g/mol.
The molecular framework of tert-Butyl (2-bromo-4-trifluoromethylphenoxy)acetate (C13H14BrF3O3) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
Physical & Chemical Properties
| Molecular Formula | C13H14BrF3O3 |
| Molecular Weight | 355.15 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.) | 1986 |
| Halogen Content | F/Br-containing |
Recommended Standards
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