Trifluoromethanesulfonic acid difluoromethyl ester Chemical Properties

Boiling point:

48.5-49 °C

Density 

1.584 g/mL at 25 °C

Flash point:

57℃

storage temp. 

2-8°C

form 

liquid

color 

Clear, colourless

InChI

InChI=1S/C2HF5O3S/c3-1(4)10-11(8,9)2(5,6)7/h1H

InChIKey

DAANAKGWBDWGBQ-UHFFFAOYSA-N

SMILES

C(F)(F)(F)S(OC(F)F)(=O)=O

Safety Information

Hazard Codes 

C,Xn

Risk Statements 

22-34

Safety Statements 

26-36/37/39-45

RIDADR 

UN 2920 3(8) / PGII

WGK Germany 

3

HS Code 

2905190098

Trifluoromethanesulfonic acid difluoromethyl ester Usage And Synthesis

Uses

Difluoromethyl triflate (TfO-CHF₂) can be used as a reagent:

• In difluoromethylation reaction.
• To prepare difluoromethoxylated heterocycles by reacting with hydroxylated N-based heterocycles.
• To synthesize trifluoromethylated arenes by treating with diaryliodonium salts in the presence of copper and tetrabutylammonium difluorotriphenylsilicate (TBAT).

It allows for a simple method toward the preparation of difluoromethyl ethers and thioethers under basic conditions from alcohols and thiols. Difluoromethyl phenols can also be obtained in a single pot from boronic acids and C-H activation of arenes.

General Description

Difluoromethyl triflate (HCF₂OTf) is an easy to handle, air-stable and non-ozone-depleting liquid reagent for difluoromethylation. It can be prepared by reacting trifluoromethyltrimethylsilane (TMSCF₃) and triflic acid in the presence of titanium tetrachloride (TiCl₄).

Trifluoromethanesulfonic acid difluoromethyl ester(1885-46-7)Related Product Information

• Trifluoromethanesulfonic acid
• Trifluoromethanesulfonic acid tert-butyldimethylsilyl ester
• PHENYL TRIFLUOROACETATE
• TRIFLUOROACETALDEHYDE ETHYL HEMIACETAL
• Lithium trifluoromethanesulfonate
• Nickel(II) Trifluoromethanesulfonate
• Sodium trifluoroacetate
• PRASEODYMIUM (III) TRIFLUOROMETHANESULFONATE
• MAGNESIUM TRIFLUOROMETHANESULFONATE
• NEODYMIUM(III) TRIFLUOROMETHANESULFONATE
• Potassium trifluoroacetate
• GALLIUM(III) TRIFLUOROMETHANESULFONATE
• ERBIUM (III) TRIFLUOROMETHANESULFONATE
• Potassium trifluoromethanesulfonate
• Methyl trifluoroacetate
• TRIFLUOROACETALDEHYDE HYDRATE