tert-Butyl 6-chloro-3,5-dioxohexanoate CAS 276249-18-4
| CAS No. | 276249-18-4 |
| Molecular Formula | C10H15ClO4 |
| Molecular Weight | 234.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of tert-Butyl 6-chloro-3,5-dioxohexanoate is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
tert-Butyl 6-chloro-3,5-dioxohexanoate (CAS 276249-18-4), molecular formula C10H15ClO4 and molecular weight 234.68 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, tert-Butyl 6-chloro-3,5-dioxohexanoate (C10H15ClO4) contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 234.68 g/mol, it falls into the medium-molecular-weight range. 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 | C10H15ClO4 |
| Molecular Weight | 234.68 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 |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
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