Methyl 4-cyanobenzo[b]thiophene-2-carboxylate CAS 861218-72-6
| CAS No. | 861218-72-6 |
| Molecular Formula | C11H7NO2S |
| Molecular Weight | 217.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C11H7NO2S, Methyl 4-cyanobenzo[b]thiophene-2-carboxylate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 217.24 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
CATO supplies Methyl 4-cyanobenzo[b]thiophene-2-carboxylate (CAS 861218-72-6), a certified reference material (molecular formula C11H7NO2S, MW 217.24 g/mol) for analytical method development and quality control.
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 | C11H7NO2S |
| Molecular Weight | 217.24 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 |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- Methyl 5-cyanobenzo[b]thiophene-2-carboxylate (CAS 146137-93-1)
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- N-(2-Cyanobenzo[d]thiazol-5-yl)acetamide (CAS 646035-19-0)
- Methyl 5-cyanobenzo[d]thiazole-2-carboxylate (CAS 2231676-36-9)
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- Vonoprazan Impurity 82 (CAS 106058-86-0)
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