If you are procuring fluorinated alkylating reagents for pharmaceutical synthesis or advanced‑materials R&D, 2,2,2‑trifluoroethyl trifluoromethanesulfonate (commonly known as TFOL‑Tf) is likely on your purchasing list. With CAS No. 6226‑25‑1, it ranks among the most potent trifluoroethylating reagents available to synthetic chemists today.
Nevertheless, product quality varies widely across batches. Purity, water content and anhydride‑impurity levels directly govern reaction yields — especially when scaling up from lab‑scale gram batches to commercial‑scale kilogram‑ or even ton‑level production.
This guide breaks down all critical information for procurement managers and research chemists, covering molecular properties, practical application scenarios, safe‑handling protocols and vendor‑evaluation criteria to support well‑informed purchasing decisions.
What is 2,2,2‑Trifluoroethyl Trifluoromethanesulfonate?
2,2,2‑trifluoroethyl trifluoromethanesulfonate is an ester formed by trifluoromethanesulfonic acid (TfOH) and 2,2,2‑trifluoroethanol. Its molecular formula is C₃H₂F₆O₃S and molecular weight is 232.10 g/mol.
The compound’s core value stems from its triflate leaving group (‑OTf), one of the best‑known leaving groups in organic chemistry. This makes it a highly efficient electrophilic reagent capable of introducing the trifluoroethyl moiety (CF₃CH₂‑) into nucleophilic substrates.
Product Identification Summary
| Content | |
|---|---|
| IUPAC Name | 2,2,2‑trifluoroethyl trifluoromethanesulfonate |
| CAS Number | 6226‑25‑1 |
| Synonyms | 2,2,2‑trifluoroethyl triflate; TFOL‑Tf; trifluoromethanesulfonic acid‑2,2,2‑trifluoroethyl ester |
| InChI Key | RTMMSCJWQYWMNK‑UHFFFAOYSA‑N |
| MDL Number | MFCD00671579 |
| UN Number | 3265 (Corrosive liquid, acidic, organic, n.o.s.) |
| Hazard Class | Class 8 (Corrosive substances), Packing Group II |
Key Physical and Chemical Properties
Knowledge of the physical properties of CAS 6226‑25‑1 is essential for reactor design, storage planning and logistics transportation.
| Parameter | Specification |
|---|---|
| Appearance | Colorless to pale‑yellow clear liquid |
| Density (25 °C) | 1.611 g/mL |
| Boiling Point | 89‑91 °C (mainstream literature); alternatively reported as 102.8 °C at 760 mmHg |
| Refractive Index (n²⁰/D) | 1.304‑1.307 |
| Flash Point | >110 °C (some sources); 16 °C (closed‑cup; conflicting data — exercise extreme caution during handling) |
| Solubility | Slightly soluble in water; soluble in chloroform and methanol |
| Storage Conditions | 2‑8 °C, sealed storage under inert atmosphere (nitrogen/argon), moisture‑proof |
| Sensitivity | Moisture‑sensitive; hydrolysis releases trifluoromethanesulfonic acid and hydrogen fluoride |
| Specific Gravity (20 °C) | ca. 1.61 |
Important Note: Owing to its moisture‑sensitive nature, any selected supplier must demonstrate rigorous water‑content control (typically water < 200 ppm measured by Karl‑Fischer titration) and provide inert‑atmosphere packaging.
Core Value: Main Application Fields
Pharmaceutical and Medicinal Chemistry
The trifluoroethyl group is a highly valuable bioisostere in drug design; it improves metabolic stability, lipophilicity and binding affinity. As an efficient trifluoroethylating reagent, 2,2,2‑trifluoroethyl trifluoromethanesulfonate (CAS 6226‑25‑1) is widely used for:
Lithium‑Ion Battery Electrolytes
Used as a functional electrolyte additive, this compound modulates the composition of the solid‑electrolyte interphase (SEI) film, enhancing electrochemical stability and safety performance of high‑voltage lithium‑ion batteries.
Pesticides and Advanced Materials
Beyond pharmaceuticals, this reagent finds application in:
Safety, Handling and Regulatory Information
CAS 6226‑25‑1 is classified as corrosive and acutely toxic. Its hazards must not be underestimated during process scale‑up.
GHS Hazard Statements
Mandatory Personal‑Protective Equipment and Engineering Controls
Spill and Disposal Procedures
Procurement Guide: Vendor Evaluation Checklist
When searching online for suppliers or manufacturers of 2,2,2‑trifluoroethyl trifluoromethanesulfonate (CAS 6226‑25‑1), screen potential producers and traders using the checklist below.
1. Purity and Impurity Profile
2. Analytical Documentation
Reputable suppliers should provide:
3. Packaging Integrity
Packaging is critical given moisture sensitivity:
4. Production Capacity and Quality‑Management Systems
Our Manufacturing Capabilities
We specialize in producing high‑purity 2,2,2‑trifluoroethyl trifluoromethanesulfonate (CAS 6226‑25‑1) for global pharmaceutical and energy‑materials markets.
Key Advantages
Whether you require 100‑gram samples for route scouting or multi‑ton commercial orders, we deliver consistent quality alongside comprehensive technical support.
Frequently Asked Questions (FAQ)
Q: What is the difference between 2,2,2‑trifluoroethyl triflate and 2,2,2‑trifluoroethyl tosylate?
A: The triflate group exhibits far superior leaving‑group ability compared with tosylate. For nucleophilic trifluoroethylation, the triflate reagent delivers higher reaction yields under milder conditions.
Q: Can CAS 6226‑25‑1 be stored at room temperature?
A: Storage at 2‑8 °C inside sealed, inert‑atmosphere containers is strongly recommended. Room‑temperature storage accelerates moisture ingress and product degradation.
Q: Is pharmaceutical‑grade material available?
A: Yes. We offer customizable purity grades with tighter controls over sulfate, fluoride and anhydride impurities, suitable for GMP‑compliant synthetic workflows.
Q: What are typical lead times for bulk orders?
A: Small‑volume orders (≤ 100 kg) ship within 3‑5 working days. Bulk orders (≥ 1 ton) typically require 2‑3 weeks subject to production scheduling.
Conclusion
2,2,2‑trifluoroethyl trifluoromethanesulfonate (CAS 6226‑25‑1) is an indispensable reagent for modern fluorine‑containing synthesis. It can deliver full performance only when manufactured to adequate purity, packaged correctly, and sourced from suppliers who fully understand its moisture‑sensitive properties.
When evaluating vendors for your upcoming project, always request COA documents and test sample batches prior to bulk procurement. The cost of impurities always exceeds the cost of quality.
Looking to purchase high‑purity CAS 6226‑25‑1? Contact us today for customized quotations, sample availability and complete technical documentation.
Post time: Sep-10-2026
