4-((2,2,2-Trifluoroethyl)thio)aniline CAS 57946-59-5
| CAS No. | 57946-59-5 |
| Molecular Formula | C8H8F3NS |
| Molecular Weight | 207.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 207.22 g/mol gives 4-((2,2,2-Trifluoroethyl)thio)aniline distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-((2,2,2-Trifluoroethyl)thio)aniline (CAS 57946-59-5) is a high-purity analytical reference standard with the molecular formula C8H8F3NS and a molecular weight of 207.22 g/mol.
4-((2,2,2-Trifluoroethyl)thio)aniline (C8H8F3NS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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).
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 | C8H8F3NS |
| Molecular Weight | 207.22 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Trifluoroethyl Standards
- 3-((2,2,2-Trifluoroethyl)thio)aniline (CAS 1445684-99-0)
- 2-[(2,2,2-trifluoroethyl)thio]aniline (CAS 99229-16-0)
- Methyl 1-(2,2,2-trifluoroethyl)-1h-pyrazole-4-carboxylate (CAS 1006461-60-4)
- 5-Methyl-1-(2,2,2-trifluoroethyl)-1h-pyrazole-3-carboxylic acid (CAS 1006486-45-8)
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