methyl 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate CAS 403860-08-2
| CAS No. | 403860-08-2 |
| Molecular Formula | C8H12ClNO2S |
| Molecular Weight | 221.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
methyl 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate (CAS 403860-08-2) is a high-purity analytical reference standard with the molecular formula C8H12ClNO2S and a molecular weight of 221.70 g/mol.
methyl 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate (C8H12ClNO2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. 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.
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 | C8H12ClNO2S |
| Molecular Weight | 221.70 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 7-chlorothieno[3,2-b]pyridine-6-carboxylic acid (CAS 90690-94-1)
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- 7-chlorothieno[3,2-b]pyridine-2-carboxylic acid (CAS 596793-57-6)
- 5-Chloronaphthalene-1-carbothioamide (CAS 1354750-18-7)
- N-Boc-3-bromo-4-methylindole (CAS 1305320-64-2)
- 3-(tert-Butyl)-4-hydroxybenzamide (CAS 847943-62-8)
- 6,7,8,9-Tetrahydro-5H-cyclohepta[b]pyridin-9-ylamine (CAS 298181-76-7)
- 1-((1-Ethyl-1H-pyrazol-4-yl)methyl)-1H-pyrazol-5-amine (CAS 1415719-51-5)
- 2-Bromo-4-butoxy-5-ethoxybenzaldehyde (CAS 832674-50-7)
- Umeclidinium impurity 25 (CAS 22766-68-3)
- 4-[(2,4-dimethoxyphenyl)methyl]-7-oxa-4-azaspiro[2.5]octane (CAS 1803598-51-7)
- Ganirelix Impurity 1 (CAS 117766-00-4)
- N'-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-N',2,6-trimethyl-4-oxo-1,4-dihydropyridine-3-carbohydrazide (CAS 400082-52-2)
- Tirzepatide Impurity 61 (CAS CATO-C4X-324061)
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