2,2,2-Trifluoroethyl trifluoromethanesulfonate
2,2,2-Trifluoroethyl trifluoromethanesulfonate (CAS 6226-25-1) is a potent chemical reagent with the molecular formula C3H2F6O3S and a molecular weight of 232.10 g/mol. Its primary utility lies in organic synthesis, particularly as a fluorinating agent and in trifluoromethylation reactions. This compound is essential for specialised chemical transformations requiring precise introduction of fluorine-containing moieties into target molecules, contributing to the development of novel compounds in research and industrial applications.
- IUPAC
- Trifluoromethanesulfonic acid 2,2,2-trifluoroethyl ester
- Synonyms
- 6226-25-1Trifluoromethanesulfonic acid 2,2,2-trifluoroethyl esterC3H2F6O3S
Fluorination Reagent
This compound serves as an effective reagent for introducing fluorinated groups in organic synthesis. Its reactivity allows for controlled fluorination processes, critical in the synthesis of complex molecules.
Trifluoromethylation
It is employed in trifluoromethylation reactions, a key process for modifying the properties of organic compounds. The trifluoromethyl group can significantly alter lipophilicity, metabolic stability, and binding affinity of molecules.
Synthesis of Cyclic N-aryl Hydroxamic Acids
This reagent is specifically used in the enantioselective preparation of cyclic N-aryl hydroxamic acids. It facilitates the phase-transfer catalyzed alkylation of nitrobenzyl bromides to yield nirophenylalanines.
General Organic Synthesis
As a versatile synthetic reagent, it finds broad application in various organic transformations where a reactive trifluoromethanesulfonate ester is required for alkylation or other derivatisation reactions.
| Molecular weight | 232.10 |
|---|---|
| Empirical formula | C3H2F6O3S |
| Assay | 95% |
| Density | 1.611 g/mL at 25 °C |
| Refractive index | n20/D 1.306 |
| Storage temperature | 2-8°C |
| Application | Reagent used in thenantioselective preparation of cyclic N-aryl hydroxamic acids via phase-transfer catalyzed alkylation of nitrobenzyl bromides to give nirophenylalanines1 |
Hazard statements
- H301Toxic if swallowed
- H314Causes severe skin burns and eye damage
- H330Fatal if inhaled
Precautionary statements
- P260Do not breathe dust, fume, gas, mist, vapours or spray
- P280Wear protective gloves, clothing and eye/face protection
- P284Wear respiratory protection
- P301IF SWALLOWED
- P305IF IN EYES
- P310Immediately call a POISON CENTER or doctor
| Flash point | >110 °C / >230 °F |
|---|---|
| Transport (UN / ADR) | UN 3265 8 / PGII |
| Water hazard class (WGK, DE) | 3 |
| Hazard codes (EU) | T |
| Risk statements (R) | 23/25-34 |
| Safety statements (S) | 26-36/37/39-45 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
Documentation
Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.
Supply & logistics
Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.
What is 2,2,2-Trifluoroethyl trifluoromethanesulfonate used for?
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2,2,2-Trifluoroethyl trifluoromethanesulfonate (CAS 6226-25-1) is primarily used as a reagent in organic synthesis, particularly for fluorination and trifluoromethylation reactions, and in the enantioselective preparation of cyclic N-aryl hydroxamic acids.
What is the CAS number and molecular formula for 2,2,2-Trifluoroethyl trifluoromethanesulfonate?
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The CAS number is 6226-25-1, and the empirical formula (Hill notation) is C3H2F6O3S.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies 2,2,2-Trifluoroethyl trifluoromethanesulfonate with an assay of 95%. This product is supplied for research and laboratory use and is not represented as USP, BP, EP, or any other pharmacopoeia grade.
How should 2,2,2-Trifluoroethyl trifluoromethanesulfonate be handled safely?
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Danger: This compound is corrosive and toxic. It causes severe skin burns and eye damage and is fatal if inhaled or swallowed. Handle with extreme caution in a well-ventilated area, wearing appropriate personal protective equipment including gloves, eye protection, and respiratory protection. Store at 2-8°C. Refer to the Safety Data Sheet (SDS) for detailed handling procedures.
Is 2,2,2-Trifluoroethyl trifluoromethanesulfonate a controlled substance?
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Based on the provided data, 2,2,2-Trifluoroethyl trifluoromethanesulfonate (CAS 6226-25-1) is not indicated as a controlled substance.
How is 2,2,2-Trifluoroethyl trifluoromethanesulfonate packed and shipped?
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2,2,2-Trifluoroethyl trifluoromethanesulfonate is shipped under UN 3265 classification, indicating it is a corrosive liquid, acidic, organic, n.o.s. (Trifluoromethanesulfonic acid 2,2,2-trifluoroethyl ester), Hazard Class 8, Packing Group II. TSS exports fine chemicals globally and ensures compliant packaging for safe transportation.
How can I request a quote or sample for 2,2,2-Trifluoroethyl trifluoromethanesulfonate?
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To request a quote or sample for 2,2,2-Trifluoroethyl trifluoromethanesulfonate, please contact the Tech Serve Solutions sales team through our website or direct inquiry channels, providing your contact details and the quantity required.
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