2-((4-Bromophenyl)thio)-2,2-difluoroacetic acid CAS 1515653-78-7
| CAS No. | 1515653-78-7 |
| Molecular Formula | C8H5BrF2O2S |
| Molecular Weight | 283.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((4-Bromophenyl)thio)-2,2-difluoroacetic acid (C8H5BrF2O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/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.
2-((4-Bromophenyl)thio)-2,2-difluoroacetic acid (CAS 1515653-78-7), molecular formula C8H5BrF2O2S and molecular weight 283.09 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.
As a certified reference material (CRM), 2-((4-Bromophenyl)thio)-2,2-difluoroacetic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C8H5BrF2O2S |
| Molecular Weight | 283.09 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | F/Br-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Ethyl 1-methyl-α-oxo-1H-benzimidazole-2-acetate (CAS 66155-91-7)
- 4-Bromo-2-fluorobenzimidamide (CAS 1100752-71-3)
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