| CAS No. | 2121513-93-5 |
| Molecular Formula | C13H20BBrO3S |
| Molecular Weight | 347.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 3-Bromo-2-methylsulfanylphenylboronic acid pinacol ester is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Bromo-2-methylsulfanylphenylboronic acid pinacol ester (CAS 2121513-93-5) is a high-purity analytical reference standard with the molecular formula C13H20BBrO3S and a molecular weight of 347.08 g/mol.
3-Bromo-2-methylsulfanylphenylboronic acid pinacol ester (C13H20BBrO3S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
As a certified reference material (CRM), 3-Bromo-2-methylsulfanylphenylboronic acid pinacol ester meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
| Molecular Formula | C13H20BBrO3S |
| Molecular Weight | 347.08 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, 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) | 3.5 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |