Methyl 3-bromo-2-fluoro-2-methylpropanoate CAS 4161-54-0
| CAS No. | 4161-54-0 |
| Molecular Formula | C5H8BrFO2 |
| Molecular Weight | 199.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies Methyl 3-bromo-2-fluoro-2-methylpropanoate (CAS 4161-54-0), a certified reference material (molecular formula C5H8BrFO2, MW 199.02 g/mol) for analytical method development and quality control.
The molecular framework of Methyl 3-bromo-2-fluoro-2-methylpropanoate (C5H8BrFO2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), Methyl 3-bromo-2-fluoro-2-methylpropanoate 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.
Physical & Chemical Properties
| Molecular Formula | C5H8BrFO2 |
| Molecular Weight | 199.02 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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.) | 1958 |
| Halogen Content | F/Br-containing |
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Recommended Standards
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