4-Bromo-6-fluoro-1,3-benzothiazole-2-thiol CAS 786657-44-1
| CAS No. | 786657-44-1 |
| Molecular Formula | C7H3BrFNS2 |
| Molecular Weight | 264.14 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.
4-Bromo-6-fluoro-1,3-benzothiazole-2-thiol (CAS 786657-44-1), molecular formula C7H3BrFNS2 and molecular weight 264.14 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-Bromo-6-fluoro-1,3-benzothiazole-2-thiol (C7H3BrFNS2) contains a nitrile group, sulfur-containing functionality, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 264.14 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C7H3BrFNS2 |
| Molecular Weight | 264.14 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
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