5-(Trifluoromethyl)-5H-thianthren-5-ium trifluoromethanesulfonate CAS 2648079-79-0
| CAS No. | 2648079-79-0 |
| Molecular Formula | C13H8F3S2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
5-(Trifluoromethyl)-5H-thianthren-5-ium trifluoromethanesulfonate (CAS 2648079-79-0), molecular formula C13H8F3S2CF3O3S and molecular weight 434.38 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-(Trifluoromethyl)-5H-thianthren-5-ium trifluoromethanesulfonate (C13H8F3S2CF3O3S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 434.38 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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.
Physical & Chemical Properties
| Molecular Formula | C13H8F3S2 CF3O3S |
| Molecular Weight | 434.38 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | F-containing |
| Sulfur Atoms | 3 |
Related Trifluoromethyl Standards
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Recommended Standards
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- 2-(4-benzoylphenoxy)-N-{1-[(4-hydroxyphenyl)methyl]piperidin-4-yl}acetamide (CAS 1909324-98-6)
- 6,8-Dimethyl-2-(2-propoxyphenyl)quinoline-4-carbonyl chloride (CAS 1160263-00-2)
- 1-Phenyl-2-(pyridin-4-yl)ethanamine oxalate (CAS 1956380-45-2)
- 2-(2-(3,4,5-Trimethoxyphenyl)thiazol-4-yl)acetic acid (CAS 927973-63-5)
- 3-((1-Benzylpiperidin-4-yl)oxy)benzamide (CAS 1254475-25-6)
- Ac, Gastrin Releasing Peptide (20-27), porcine (CAS 77714-20-6)
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