Ethyl 4,4,4-Trichloro-3-oxobutanoate CAS 3702-98-5
| CAS No. | 3702-98-5 |
| Molecular Formula | C6H7Cl3O3 |
| Molecular Weight | 233.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Ethyl 4,4,4-Trichloro-3-oxobutanoate (CAS 3702-98-5) is a high-purity analytical reference standard with the molecular formula C6H7Cl3O3 and a molecular weight of 233.48 g/mol.
Based on its molecular formula C6H7Cl3O3, Ethyl 4,4,4-Trichloro-3-oxobutanoate contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 233.48 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.
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.
Physical & Chemical Properties
| Molecular Formula | C6H7Cl3O3 |
| Molecular Weight | 233.48 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.) | 1958 |
| Halogen Content | Cl-containing |
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