Methyl 4,4,4-trifluoro-3-hydroxybut-2-enoate CAS 178380-97-7
| CAS No. | 178380-97-7 |
| Molecular Formula | C5H5F3O3 |
| Molecular Weight | 170.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl 4,4,4-trifluoro-3-hydroxybut-2-enoate (CAS 178380-97-7) is a high-purity analytical reference standard with the molecular formula C5H5F3O3 and a molecular weight of 170.09 g/mol.
The molecular framework of Methyl 4,4,4-trifluoro-3-hydroxybut-2-enoate (C5H5F3O3) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine 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.
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 | C5H5F3O3 |
| Molecular Weight | 170.09 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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.) | 2007 |
| Halogen Content | F-containing |
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