407-38-5

Basic information

• Product Name: 2,2,2-TRIFLUOROETHYL TRIFLUOROACETATE
• Synonyms: aceticacid,trifluoro-,2,2,2-trifluoroethylester;CF3C(O)OCH2CF3;ethanol,2,2,2-trifluoro-,trifluoroacetate;Trifluoroacetic acid trifluoroethyl ester;TRIFLUOROACETIC ACID 2,2,2-TRIFLUOROETHYL ESTER;2,2,2-TRIFLUOROETHYL TRIFLUOROACETATE;2,2,2-TRIFLUOROETHYL TRIFLUOROACETATE, 9 9%;Trifluoroethyl trifluoroacetate.
• CAS NO: 407-38-5
• Molecular Formula: C₄H₂F₆O₂
• Molecular Weight: 196.05
• EINECS: 206-985-5
• Product Categories: C2 to C5;Carbonyl Compounds;Esters;Building Blocks;C2 to C5;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks
• Mol File: 407-38-5.mol
• Article Data: 7

Chemical Properties

• Melting Point: -65 °C
• Boiling Point: 55 °C(lit.)
• Flash Point: 32 °F
• Appearance: Clear colorless liquid
• Density: 1.464 g/mL at 25 °C(lit.)
• Vapor Pressure: 3.34 psi ( 20 °C)
• Refractive Index: n20/D 1.277(lit.)
• Storage Temp.: Flammables area
• BRN: 1783427
• CAS DataBase Reference: 2,2,2-TRIFLUOROETHYL TRIFLUOROACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,2-TRIFLUOROETHYL TRIFLUOROACETATE(407-38-5)
• EPA Substance Registry System: 2,2,2-TRIFLUOROETHYL TRIFLUOROACETATE(407-38-5)

Safety Data

• Hazard Codes: F,C
• Statements: 11-34
• Safety Statements: 16-26-27-36/37/39-45
• RIDADR: UN 2924 3/PG 2
• WGK Germany: 3
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 407-38-5(Hazardous Substances Data)

Usage

Chemical Properties

CLEAR COLOURLESS LIQUID

Uses

2,2,2-Trifluoroethyl trifluoroacetate has been used in the preparation of dimethyl (3,3,3-trifluoro-2,2-dihydroxypropyl)phosphonate.

General Description

The molecular structure of 2,2,2-trifluoroethyl trifluoroacetate has been determined in the gas-phase from electron-diffraction data supplemented by ab initio (MP2) and DFT calculations. Hydrogenation of 2,2,2-trifluoroethyl trifluoroacetate catalyzed by anionic tris-phosphine ruthenium hydride complex has been reported.

InChI:InChI=1S/C4H2F6O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2

Upstream product

• 75-89-8 2,2,2-trifluoroethanol 
• 60-29-7 diethyl ether 
• 407-25-0 trifluoroacetic anhydride 
• 7782-50-5 chlorine 
• 129880-38-2 Sodium; 2,3,3,3-tetrafluoro-2-(2,2,2-trifluoro-ethoxy)-propionate 
• 333-36-8 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane 
• 21373-88-6 (PPh₃)3CoH(N₂) 
• 500-73-2 phenyl trifluoroacetate 
• 354-34-7 trifluoroacetyl fluoride 
• 76-05-1 trifluoroacetic acid 

Downstream Products

• 360-92-9 N,N-diethyl-2,2,2-trifluoroacetamide 
• 75-89-8 2,2,2-trifluoroethanol 
• 354-34-7 trifluoroacetyl fluoride 
• 30952-31-9 pentafluoroethyl trifluoroacetate 
• 185854-03-9 6-(benzyloxy)-1,1,1-trifluorohex-3-yn-2-one 
• 82734-47-2 2-trifluoroacetylcyclooctanone 
• 928642-45-9 6-diazo-2-cyclohexen-1-one 
• 387866-39-9 6,6,6-trifluoro-3,5-dioxo-hexanoic acid tert-butyl ester 
• 1283594-59-1 1-(4-chlorophenyl)-2,2,4,4,4-pentafluoro-3,3-dihydroxybutan-1-one 

Relevant articles and documents

RECHECKING OF THE EQUILIBRIUM GAS-PHASE BASICITY SCALE FOR LOW-BASICITY COMPOUNDS USING FOURIER TRANSFORM ION CYCLOTRON RESONANCE SPECTROMETRY

Fourier transform ion cyclotron resonance (FT-ICR) spectrometry was used to study and recheck the proton transfer equilibria for a large number of low-basicity compounds, particularly those which are less basic than H2O.The data obtained were used for the construction of a continuous scale of the relative gas-phase basicities between H2S and SO2F2.The present results are compared with the results by McMahon and coworkers using ICR spectrometry and high-pressure mass spectrometric (HPMS) techniques.Satisfactory agreement is found with the existing ICR spectrometric data.The results, however, show unexplained variances with earlier and recent HPMS results that are also not internally self-consistent.The substituent effects for some families of low-basicity compounds (nitriles, carbonyl compounds, ethers and some others) are discussed.

Study of the OH and Cl-initiated oxidation, IR absorption cross-section, radiative forcing, and global warming potential of four C4- hydrofluoroethers

Infrared absorption cross-sections and OH and Cl reaction rate coefficients for four C4-hydrofluoroethers (CF3)2- CHOCH3, CF3CH2OCH2CF3, CF3CF2CH2OCH3, and CHF 2CF2CH2-OCH3 are reported. Relative rate measurements at 298 K and 1013 hPa of OH and Cl reaction rate coefficients give k(OH+(CF3)2CHOCH3) = (1.27 ± 0.13) × 10-13, k(OH+CF3-CH2OCH 2CF3) = (1.51 ± 0.24) × 10-13, k(OH+CF3CF2CH2OCH3) = (6.42 ± 0.33) × 10-13, k(OH+CHF2CF2CH 2OCH3) = (8.7 ± 0.5) × 10-13, k(Cl+(CF3)2CHOCH3) = (8.4 ± 1.3) × 10-12, k(Cl+CF3CH2OCH2CF 3) = (6.5 ± 1.7) × 10-13, k(Cl+CF 3CF2-CH2OCH3) = (4.0 ± 0.8) × 10-11, and k(Cl+CHF2CF2CH 2OCH3) = (2.65 ± 0.17) × 10-11 cm3 molecule-1 s-1. The primary products of the OH and Cl reactions with the fluorinated ethers have been identified as esters, and OH and Cl reaction rate coefficients for one of these, CF 3CH2OCHO, are reported: k(OH+CF3CH 2OCHO) = (7.7 ± 0.9) × 10-14 and k(Cl+CF 3CH2OCHO) = (6.3 ± 1.9) × 10-14 cm3 molecule-1 s-1. The rate coefficient for the Cl-atom reaction with CHF2-CH2F is derived as k(Cl+CHF2CH2F) = (3.0 ± 0.9) × 10 -14 cm3 molecule-1 s-1 at 298 K. The error limits include 3σ from the statistical data analyses as well as the errors in the rate coefficients of the reference compounds employed. The tropospheric lifetimes of the hydrofluoroethers are estimated to be short τOH((CF3)2CHOCH3) ～ 100 days, τOH(CF3CH2OCH2-CF 3) ～ 80 days, τOH(CF3CF 2CH2OCH3) ～ 20 days, and τOH(CHF2CF2CH2OCH3) ～ 14 days, and their global warming potentials are small compared to CFC-11.

Oxiranes from Methylenation of the Ester Carbonyl Group by Diazomethane

Esters suitably substituted by electronegative groups were found to react with diazomethane with the anchimeric assistance of a ?-system or a trifluoromethyl group close to the ester oxygen to yield 2-alkoxy-2-substituted-oxiranes in good to excellent yields without catalysts.