Ethyl 3-bromo-5-[(trifluoromethyl)sulfanyl] benzoate CAS 1208079-30-4
| CAS No. | 1208079-30-4 |
| Molecular Formula | C10H8BrF3O2S |
| Molecular Weight | 329.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Ethyl 3-bromo-5-[(trifluoromethyl)sulfanyl] benzoate (CAS 1208079-30-4) is a high-purity analytical reference standard with the molecular formula C10H8BrF3O2S and a molecular weight of 329.13 g/mol.
Based on its molecular formula C10H8BrF3O2S, Ethyl 3-bromo-5-[(trifluoromethyl)sulfanyl] benzoate contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 329.13 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C10H8BrF3O2S |
| Molecular Weight | 329.13 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; 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.) | 1990 |
| Halogen Content | F/Br-containing |
| Sulfur Atoms | 1 |
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