Ethyl 2,2,4-trichloro-3-oxobutanoate CAS 85153-67-9
| CAS No. | 85153-67-9 |
| Molecular Formula | C6H7Cl3O3 |
| Molecular Weight | 233.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 2,2,4-trichloro-3-oxobutanoate (CAS 85153-67-9), molecular formula C6H7Cl3O3 and molecular weight 233.48 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Ethyl 2,2,4-trichloro-3-oxobutanoate (C6H7Cl3O3) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine 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.
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 | 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.) | 1981 |
| Halogen Content | Cl-containing |
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Recommended Standards
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- 4,6,7-trichloroquinazoline (CAS 57940-05-3)
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- Dimethyl 6-(trifluoromethyl)pyridine-2,3-dicarboxylate (CAS 905273-56-5)
- 3-bromo-1-benzofuran-2-carbaldehyde (CAS 38281-52-6)
- Ethyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate (CAS 2091158-04-0)
- 5-Methyl-1H-[1,2,3]triazolo[4,5-β]pyridine (CAS 27582-23-6)
- Dopamine Impurity 63 (CAS 5663-55-8)
- 2-Chloro-5-methylthiazole-4-carbaldehyde (CAS 1379296-36-2)
- Insulin Degludec Impurity 10 (CAS CATO-C4X-215710)
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