5-Bromobenzo[b]thiophene-2-carbonitrile CAS 38251-66-0
| CAS No. | 38251-66-0 |
| Molecular Formula | C9H4BrNS |
| Molecular Weight | 238.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
5-Bromobenzo[b]thiophene-2-carbonitrile (CAS 38251-66-0), molecular formula C9H4BrNS and molecular weight 238.10 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 5-Bromobenzo[b]thiophene-2-carbonitrile (C9H4BrNS) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).
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 | C9H4BrNS |
| Molecular Weight | 238.10 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 |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1967 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Bromobenzo Standards
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- 4-Bromobenzo[b]thiophene-2-carbonitrile (CAS 1312118-13-0)
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