4-Bromo-1-isothiocyanato-2-(trifluoromethoxy)benzene CAS 238742-91-1
| CAS No. | 238742-91-1 |
| Molecular Formula | C8H3BrF3NOS |
| Molecular Weight | 298.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Bromo-1-isothiocyanato-2-(trifluoromethoxy)benzene (C8H3BrF3NOS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/bromine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
4-Bromo-1-isothiocyanato-2-(trifluoromethoxy)benzene (CAS 238742-91-1), molecular formula C8H3BrF3NOS and molecular weight 298.08 g/mol, is a CATO reference standard with documented purity and traceability.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C8H3BrF3NOS |
| Molecular Weight | 298.08 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.) | 2025 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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- 3-Chloro-2,6-dimethylquinoxaline (CAS 79249-38-0)
- 2-Ethynyl-3-nitropyridin-4-amine (CAS 1851876-98-6)
- 3-[(4-Bromobenzyl)amino]-1-propanol hydrochloride (CAS 1051368-43-4)
- Semaglutide impurity 256 (CAS CATO-C4X-2226256)
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