4-((Trifluoromethyl)thio)phenyl trifluoromethanesulfonate CAS 1199773-43-7
| CAS No. | 1199773-43-7 |
| Molecular Formula | C8H4F6O3S2 |
| Molecular Weight | 326.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-((Trifluoromethyl)thio)phenyl trifluoromethanesulfonate (CAS 1199773-43-7) is a high-purity analytical reference standard with the molecular formula C8H4F6O3S2 and a molecular weight of 326.24 g/mol.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 4-((Trifluoromethyl)thio)phenyl trifluoromethanesulfonate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 326.24 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
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 | C8H4F6O3S2 |
| Molecular Weight | 326.24 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Sulfur Atoms | 2 |
Related Trifluoromethyl Standards
- 1-[3,5-Bis(trifluoromethyl)benzoyl]piperazine (CAS 1159574-25-0)
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Recommended Standards
- Trifluoro-methanesulfonic acid dimethyl(1,1,2,2,2-pentafluoroethyl)silyl ester (CAS 1190956-21-8)
- 1-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperidine-4-carbonitrile (CAS 1206641-46-4)
- (S)-3-(3,5-Bis(trifluoromethyl)benzyl)piperazin-2-one (CAS 1260602-86-5)
- 1-Boc-3,5-dimethylpyrazole-4-boronic acid pinacol ester (CAS 1073354-70-7)
- 3-Cyclopropyl-4-methylpyridin-2-amine (CAS 1339318-82-9)
- 5-(Thiomorpholin-4-yl)benzene-1,3-diol (CAS 1779120-96-5)
- 6-Methyl-2-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,4-dihydropyrimidin-4-one (CAS 551931-20-5)
- 159435-08-2 6-Chloroacetamido-3 inverted exclamation mark ,6 inverted exclamation mark -bis(dimethylamino)spiro[1 inverted exclamation mark ,3 inverted exclamation mark -dihydroisobenzofuran-1,9 inverted exclamation mark -xanthen]-3-one 6-Chloroacetamidotetramethyl Rhodamine N-[3',6'-Bis(dimethylamino)-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-6-yl]-2-chloroacetamide (CAS 159435-08-2)
- (S)-2-(Boc-amino)-2-cyclohexylethanol (CAS 107202-39-1)
- (2S,4R)-4-(2-Bromobenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS 1049733-97-2)
- 5-Acetylthiophene-2-boronic acid pinacol ester, 97% (CAS 942070-32-8)
- N-(cyanomethyl)-2-(2-oxopiperazin-1-yl)acetamide (CAS 1249990-07-5)
- 1-(Allyloxy)-3-iodobenzene (CAS 634164-01-5)
- Semaglutide impurity 33 (CAS CATO-C4X-222633)
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