4-Bromo-3-chloro-1-benzothiophene-2-carboxylic acid CAS 926257-36-5
| CAS No. | 926257-36-5 |
| Molecular Formula | C9H4BrClO2S |
| Molecular Weight | 291.55 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 291.55 g/mol gives 4-Bromo-3-chloro-1-benzothiophene-2-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Bromo-3-chloro-1-benzothiophene-2-carboxylic acid (CAS 926257-36-5), molecular formula C9H4BrClO2S and molecular weight 291.55 g/mol, is a CATO reference standard with documented purity and traceability.
4-Bromo-3-chloro-1-benzothiophene-2-carboxylic acid (C9H4BrClO2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine/bromine substitution, an aromatic ring system. 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 | C9H4BrClO2S |
| Molecular Weight | 291.55 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl/Br-containing |
| Sulfur Atoms | 1 |
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- N-Ethyl-5-iodopyrimidin-4-amine (CAS 1522728-80-8)
- 2-(chloromethyl)-5-(2,5-dimethyl-3-furyl)-1,3,4-oxadiazole (CAS 796106-49-5)
- 3-([1,1'-Biphenyl]-3-yl)propanoic acid (CAS 404362-38-5)
- 3-(4-Methyl-2-oxoquinolin-1(2H)-yl)propanoic acid (CAS 75371-21-0)
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- 3-(2-Methoxyphenyl)-5-methyl-N-pentylpyrazolo[1,5-a]pyrimidin-7-amine (CAS 890622-32-9)
- Peptide 441 (CAS CATO-CPTD788441)
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