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CAS RN: 1885-46-7 | Product Number: T4382
Difluoromethyl Trifluoromethanesulfonate
×
Purity: >98.0%(GC)
Synonyms:
- Difluoromethyl Triflate
- Trifluoromethanesulfonic Acid Difluoromethyl Ester
Product Documents:
| Size | Unit Price | Belgium | Japan* | Quantity |
Shipping Information
|
|---|---|---|---|---|---|
| 1G |
€60.00
|
1 | 14 |
|
|
| 5G |
€218.00
|
1 | 9 |
|
* Stock available in Belgium: Shipment on the same day
* Stock available in Japan: Please check the Shipping Simulation for estimated shipments. (excludes regulated items and dry ice shipments)
| Product Number | T4382 |
Purity / Analysis Method 
|
>98.0%(GC) |
| Molecular Formula / Molecular Weight | C__2HF__5O__3S = 200.08 |
| Physical State (20 deg.C) | Liquid |
| Storage Temperature
|
Refrigerated (0-10°C) |
| Store Under Inert Gas | Store under inert gas |
| Condition to Avoid | Air Sensitive,Moisture Sensitive,Heat Sensitive |
| CAS RN | 1885-46-7 |
| Reaxys Registry Number | 1870187 |
| MDL Number | MFCD28054469 |
Specifications
| Appearance | Colorless to Light yellow clear liquid |
| Purity(GC) | min. 98.0 % |
| NMR | confirm to structure |
Properties (reference)
| Boiling Point | 49 °C |
| Flash point | 57 °C |
| Specific Gravity (20/20) | 1.6 |
GHS
| Pictogram |
|
| Signal Word | Danger |
| Hazard Statements | H314 : Causes severe skin burns and eye damage. H226 : Flammable liquid and vapour. |
| Precautionary Statements | P210 : Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection/ hearing protection. P370 + P378 : In case of fire: Use dry sand, dry chemical or alcohol-resistant foam to extinguish. P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water. P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor. P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor. |
Related Laws:
Transport Information:
| UN Number | UN2920 |
| Class | 8 / 3 |
| Packing Group | II |
| HS Number | 2905599890 |
Application
TCI Practical Example: Difluoromethoxylation of Aromatic Alcohols Using a Novel Difluoromethoxylating Agent
Used Chemicals
- Difluoromethyl Trifluoromethanesulfonate [T4382]
- 2-Nitrophenol [N0219]
- Potassium Hydroxide
- Acetonitrile
- Water
Procedure
6 mol/L Potassium hydroxide aqueous solution (1.0 mL, 6 mmol) was added to a solution of 2-nitrophenol (70 mg, 0.50 mmol) in acetonitrile (1.0 mL) and stirred vigorously at room temperature. Then, difluoromethyl trifluoromethanesulfonate (300 mg, 1.50 mmol) was added to the mixture in one shot and stirred vigorously for 2 minutes at room temperature. The reaction mixture was extracted with diethyl ether (10 mL x 2), dried over sodium sulfate (10 g), and concentrated under reduced pressure to afford 1-(difluoromethoxy)-2-nitrobenzene (93.3 mg, 98% yield) as a colorless oil.
Experimenter’s Comments
- The reaction was monitored by TLC (hexane:ethyl acetate = 3:1, Rf = 0.5) and UPLC-MS.
- This reagent is highly volatile, so prompt handling was required.
- Since high-purity product was obtained after the completion of separation process, no further purification steps were required.
Analytical Data
1-(Difluoromethoxy)-2-nitrobenzene
1H NMR (400 MHz, CDCl3); δ 7.93 (d, J = 8.0 Hz, 1H), 7.63 (t, J = 7.2 Hz, 1H), 7.40 (m, 2H), 6.63 (t, J = 73.2 Hz, 1H)
Lead Reference
- Synthesis of Difluoromethyl Ethers with Difluoromethyltriflate
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