Benzyl 5-bromobenzo[b]thiophene-2-carboxylate CAS 2497586-33-9
| CAS No. | 2497586-33-9 |
| Molecular Formula | C16H11BrO2S |
| Molecular Weight | 347.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Benzyl 5-bromobenzo[b]thiophene-2-carboxylate is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, a polycyclic aromatic system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies Benzyl 5-bromobenzo[b]thiophene-2-carboxylate (CAS 2497586-33-9), a certified reference material (molecular formula C16H11BrO2S, MW 347.23 g/mol) for analytical method development and quality control.
The molecular framework of Benzyl 5-bromobenzo[b]thiophene-2-carboxylate (C16H11BrO2S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, a polycyclic aromatic system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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).
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 | C16H11BrO2S |
| Molecular Weight | 347.23 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2000 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
Related Benzyl Standards
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