| CAS No. | 200643-57-8 |
| Molecular Formula | C9H9BrO4S |
| Molecular Weight | 293.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 293.13 g/mol gives 3-(4-Bromobenzenesulfonyl)propanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(4-Bromobenzenesulfonyl)propanoic acid (CAS 200643-57-8), molecular formula C9H9BrO4S and molecular weight 293.13 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system, 3-(4-Bromobenzenesulfonyl)propanoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 293.13 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
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.
| Molecular Formula | C9H9BrO4S |
| Molecular Weight | 293.13 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2014 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |