Methyl 3,3-difluoro-2-oxopropanoate CAS 139704-68-0
| CAS No. | 139704-68-0 |
| Molecular Formula | C4H4F2O3 |
| Molecular Weight | 138.07 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 3,3-difluoro-2-oxopropanoate (CAS 139704-68-0), molecular formula C4H4F2O3 and molecular weight 138.07 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 3,3-difluoro-2-oxopropanoate (C4H4F2O3) 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.
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 | C4H4F2O3 |
| Molecular Weight | 138.07 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.) | 1996 |
| Halogen Content | F-containing |
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