| CAS No. | 13634-92-9 |
| Molecular Formula | C6H3F3S |
| Molecular Weight | 164.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Compared with other compounds in its class, the molecular weight of 164.15 g/mol gives 2,3,6-Trifluorobenzenethiol distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2,3,6-Trifluorobenzenethiol (CAS 13634-92-9), molecular formula C6H3F3S and molecular weight 164.15 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C6H3F3S, 2,3,6-Trifluorobenzenethiol contains sulfur-containing functionality, fluorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 164.15 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
| Molecular Formula | C6H3F3S |
| Molecular Weight | 164.15 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1960 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |