Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetamido)propanoate CAS 103972-70-9
| CAS No. | 103972-70-9 |
| Molecular Formula | C6H5F6NO3 |
| Molecular Weight | 253.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetamido)propanoate (C6H5F6NO3) is characterized by an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing 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.
Methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetamido)propanoate (CAS 103972-70-9), molecular formula C6H5F6NO3 and molecular weight 253.10 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C6H5F6NO3 |
| Molecular Weight | 253.10 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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