| CAS No. | 953740-14-2 |
| Molecular Formula | C9H8BrClO4S |
| Molecular Weight | 327.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
8-Bromo-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonyl chloride (CAS 953740-14-2), molecular formula C9H8BrClO4S and molecular weight 327.58 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 8-Bromo-3,4-dihydro-2h-1,5-benzodioxepine-7-sulfonyl chloride (C9H8BrClO4S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine/bromine substitution, an aromatic ring system. 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. 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).
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 | C9H8BrClO4S |
| Molecular Weight | 327.58 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| 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.) | 1987 |
| Halogen Content | Cl/Br-containing |
| Sulfur Atoms | 1 |