2,2,2-Trifluoro-1-phenylethyl trifluoromethanesulfonate CAS 84877-46-3
| CAS No. | 84877-46-3 |
| Molecular Formula | C9H6F6O3S |
| Molecular Weight | 308.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2,2,2-Trifluoro-1-phenylethyl trifluoromethanesulfonate is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2,2,2-Trifluoro-1-phenylethyl trifluoromethanesulfonate (CAS 84877-46-3) is a high-purity analytical reference standard with the molecular formula C9H6F6O3S and a molecular weight of 308.20 g/mol.
Structurally, 2,2,2-Trifluoro-1-phenylethyl trifluoromethanesulfonate (C9H6F6O3S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 308.20 g/mol, it falls into the moderately-high-molecular-weight range. 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.
CATO manufactures 2,2,2-Trifluoro-1-phenylethyl trifluoromethanesulfonate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H6F6O3S |
| Molecular Weight | 308.20 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.) | 1981 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
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- (E)-1,1,1-trifluoro-4-((2-phenoxyphenyl)amino)but-3-en-2-one (CAS 478047-06-2)
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Recommended Standards
- 2-(Methylthio)-N-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-4-yl)acetamide (CAS 2246709-52-2)
- 3-((3,4-Dichlorophenyl)amino)-1-(p-tolyl)propan-1-one (CAS 882748-78-9)
- 2-(4-(Cyclopropylsulfonyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 648906-27-8)
- 3-((3-Chloro-4-methylphenyl)amino)-1-(4-chlorophenyl)propan-1-one (CAS 477334-01-3)
- 1-(4-(Benzyloxy)-5-methoxy-2-nitrophenyl)-cyclobutanecarbonitrile (CAS 1527503-22-5)
- 3-Phenyl-6,7-dihydro-5H-cyclopenta[c]pyridazine (CAS 34595-83-0)
- 6-Ethylchromane-3-carboxylic acid (CAS 1511014-66-6)
- 2-Methyl-4-phenyloxazol-5(2H)-one (CAS 52755-67-6)
- Butropipazon (CAS 2354-61-2)
- (2E)-1-{[1,1'-Biphenyl]-4-yl}-3-(2,3-dimethoxyphenyl)prop-2-en-1-one (CAS 1002798-81-3)
- Cefixime Impurity 1 (CAS 246035-38-1)
- 4-(3,4-Dichlorophenyl)benzonitrile (CAS 1260497-25-3)
- 2-((2-Methoxyethyl)amino)pyrimidine-5-carbaldehyde (CAS 2841746-25-4)
- Semaglutide impurity 196 (CAS CATO-C4X-2226196)
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