5-Bromobenzo[d]isothiazol-3(2H)-one CAS 186584-79-2
| CAS No. | 186584-79-2 |
| Molecular Formula | C7H4BrNOS |
| Molecular Weight | 230.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-Bromobenzo[d]isothiazol-3(2H)-one (CAS 186584-79-2), molecular formula C7H4BrNOS and molecular weight 230.08 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C7H4BrNOS, 5-Bromobenzo[d]isothiazol-3(2H)-one contains an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 230.08 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C7H4BrNOS |
| Molecular Weight | 230.08 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 |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2010 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Bromobenzo Standards
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