Methyl 6-bromo-5-methylbenzo[b]thiophene-4-carboxylate CAS 2168049-75-8
| CAS No. | 2168049-75-8 |
| Molecular Formula | C11H9BrO2S |
| Molecular Weight | 285.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Methyl 6-bromo-5-methylbenzo[b]thiophene-4-carboxylate (CAS 2168049-75-8), molecular formula C11H9BrO2S and molecular weight 285.16 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Methyl 6-bromo-5-methylbenzo[b]thiophene-4-carboxylate (C11H9BrO2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 285.16 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), Methyl 6-bromo-5-methylbenzo[b]thiophene-4-carboxylate 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.
Physical & Chemical Properties
| Molecular Formula | C11H9BrO2S |
| Molecular Weight | 285.16 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | Br-containing |
| Sulfur Atoms | 1 |
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