Ethyl 2-acetamido-6,6-dibromo-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate CAS 113407-90-2
| CAS No. | 113407-90-2 |
| Molecular Formula | C13H13Br2NO4S |
| Molecular Weight | 439.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-acetamido-6,6-dibromo-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies Ethyl 2-acetamido-6,6-dibromo-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 113407-90-2), a certified reference material (molecular formula C13H13Br2NO4S, MW 439.12 g/mol) for analytical method development and quality control.
Ethyl 2-acetamido-6,6-dibromo-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (C13H13Br2NO4S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 2-acetamido-6,6-dibromo-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 | C13H13Br2NO4S |
| Molecular Weight | 439.12 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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.) | 1989 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- N-(5-Acetamido-2-methoxyphenyl)-2-((4-allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 577789-17-4)
- 7-Acetamido-6-(benzyloxy)-2-phenylhexahydropyrano[3,2-d][1,3]dioxin-8-yl acetate (CAS 13343-64-1)
- Benzyl 2-Acetamido-3-O-allyl-6-O-benzyl-2-deoxy-a-D-glucopyranoside (CAS 60920-82-3)
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- Ethyl 2-acetamido-6-bromo-7-(2-chloroacetoxy)benzo[b]thiophene-3-carboxylate (CAS 331275-45-7)
- 2-Acetamido-3-O-acetyl-4,6-O-benzylidene-N-(tert-butoxycarbonyl)-1,2,5-trideoxy-1,5-imino-D-glucitol (CAS 1221795-92-1)
- N-(2-Acetamido-4-(diethylamino)phenyl)-3,3-dicyano-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acrylimidoyl cyanide (CAS 140234-93-1)
- 3-Acetamido-5-amino-2,6-diiodobenzoic Acid (CAS 1713-08-2)
Recommended Standards
- 2-((tert-Butoxycarbonyl)amino)-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid (CAS 349535-07-5)
- 3-(5,6-Dichloro-1-(2,4-dichlorobenzyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one (CAS 338412-08-1)
- (S)-2-((tert-Butoxycarbonyl)amino)-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid (CAS 58960-71-7)
- 3-(5,6-Dichloro-1-(2,6-dichlorobenzyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one (CAS 338774-41-7)
- Methyl 2-(5-bromo-2-methoxyphenyl)-2-hydroxyacetate (CAS 1247221-73-3)
- 101843-88-3 Cyclosieversioside C (CAS 101843-88-3)
- 2-Phenoxycyclohexan-1-amine (CAS 21303-01-5)
- 4-Cyanophenylzinc iodide 0.5 M in Tetrahydrofuran (CAS 220213-92-3)
- 4-Morpholinobutan-2-amine dihydrochloride (CAS 1311315-30-6)
- Ethyl 5-(trifluoromethyl)pyrrolidine-3-carboxylate (CAS 2110790-75-3)
- 4-Methyl-1-((4-methylmorpholin-2-yl)methyl)-1h-pyrazol-3-amine (CAS 1515281-99-8)
- 5-((3-Bromophenoxy)methyl)-1,3,4-oxadiazol-2(3h)-imine (CAS 1092282-83-1)
- 2-Bromoethyl 2-cyanoacetate (CAS 98024-89-6)
- D-Ile12-Tirzepatide (CAS CATO-CPTD788921)
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