3-Trifluoromethanesulfonyloxy-but-2-enoic acid methyl ester CAS 133559-43-0
| CAS No. | 133559-43-0 |
| Molecular Formula | C6H7F3O5S |
| Molecular Weight | 248.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Trifluoromethanesulfonyloxy-but-2-enoic acid methyl ester (CAS 133559-43-0) is a high-purity analytical reference standard with the molecular formula C6H7F3O5S and a molecular weight of 248.18 g/mol.
Based on its molecular formula C6H7F3O5S, 3-Trifluoromethanesulfonyloxy-but-2-enoic acid methyl ester contains a carbohydrate-derived structure, a sulfone group, fluorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 248.18 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C6H7F3O5S |
| Molecular Weight | 248.18 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
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