ethyl 2-bromo-3,3,3-trifluoropropanoate CAS 108221-68-7
| CAS No. | 108221-68-7 |
| Molecular Formula | C5H6BrF3O2 |
| Molecular Weight | 235.00 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
ethyl 2-bromo-3,3,3-trifluoropropanoate (CAS 108221-68-7) is a high-purity analytical reference standard with the molecular formula C5H6BrF3O2 and a molecular weight of 235.00 g/mol.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, ethyl 2-bromo-3,3,3-trifluoropropanoate is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 235.00 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C5H6BrF3O2 |
| Molecular Weight | 235.00 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Br-containing |
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Recommended Standards
- (3-(Ethoxycarbonyl)pyrazolo[1,5-a]pyrimidin-6-yl)boronic acid (CAS 1065083-02-4)
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- 5-Bromo-4-hydroxy-3-nitropyridin-2(1H)-one (CAS 408328-18-7)
- 3-bromofuran-2,5-dicarboxylic acid (CAS 4806-00-2)
- Ethyl 5-(4-(4-(3,5-dimethylisoxazole-4-carbonyl)piperazin-1-yl)phenyl)-1-o-tolyl-1H-pyrazole-3-carboxylate (CAS 1007477-05-5)
- (2-Methylpyridin-3-yl)methanamine dihydrochloride (CAS 58539-66-5)
- Boc-Met-OSu (CAS 3845-64-5)
- Ethyl 2-amino-6-chloro-3-nitrobenzoate (CAS 1183066-76-3)
- Fmoc-α-Me-Gly(Propargyl)-OH (CAS 1198791-58-0)
- 2-Amino-6-(tert-butyl)-N-(2,4-dichlorophenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide (CAS 590350-63-3)
- 1-(4-(Benzyloxy)phenyl)-2-hydroxyethan-1-one (CAS 943443-35-4)
- ethyl 2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)acetate (CAS 2390380-52-4)
- 3-Isobutyl-1-methyl-5-vinyl-1H-pyrazole (CAS 1956334-67-0)
- (D-Trp32)-Neuropeptide Y (porcine) trifluoroacetate salt (CAS 153549-78-1)
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