Ethyl 6-bromo-2-(2-chloroacetamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate CAS 128811-92-7
| CAS No. | 128811-92-7 |
| Molecular Formula | C13H13BrClNO4S |
| Molecular Weight | 394.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 394.67 g/mol gives Ethyl 6-bromo-2-(2-chloroacetamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Ethyl 6-bromo-2-(2-chloroacetamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 128811-92-7), a certified reference material (molecular formula C13H13BrClNO4S, MW 394.67 g/mol) for analytical method development and quality control.
Structurally, Ethyl 6-bromo-2-(2-chloroacetamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (C13H13BrClNO4S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine/bromine substitution. 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 394.67 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Ethyl 6-bromo-2-(2-chloroacetamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-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 | C13H13BrClNO4S |
| Molecular Weight | 394.67 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; 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.) | 1993 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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