tert-Butyl 2-bromo-2-(diethoxyphosphoryl)acetate CAS 179106-93-5
| CAS No. | 179106-93-5 |
| Molecular Formula | C10H20BrO5P |
| Molecular Weight | 331.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 331.14 g/mol gives tert-Butyl 2-bromo-2-(diethoxyphosphoryl)acetate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
tert-Butyl 2-bromo-2-(diethoxyphosphoryl)acetate (CAS 179106-93-5), molecular formula C10H20BrO5P and molecular weight 331.14 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of tert-Butyl 2-bromo-2-(diethoxyphosphoryl)acetate (C10H20BrO5P) is characterized by a phosphate ester group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine 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 | C10H20BrO5P |
| Molecular Weight | 331.14 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 0.5 |
| CAS Registry Year (est.) | 2008 |
| Halogen Content | Br-containing |
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