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249831 Sigma-Aldrich

Methyl trifluoroacetate

99%

  • CAS Number 431-47-0

  • Linear Formula CF3COOCH3

  • Molecular Weight 128.05

  •  Beilstein/REAXYS Number 1756070

  •  EC Number 207-074-5

  •  MDL number MFCD00000417

  •  PubChem Substance ID 24855016

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters,
vapor pressure   5.77 psi ( 20 °C)
InChI Key   VMVNZNXAVJHNDJ-UHFFFAOYSA-N
assay   99%
refractive index   n20/D 1.291 (lit.)
bp   43-43.5 °C (lit.)
density   1.273 g/mL at 25 °C (lit.)

Description

General description

Methyl trifluoroacetate along with cesium fluoride or cesium chloride and CuI constitutes a valuable trifluoromethylating reagent for substituting aromatic (or heteroaromatic) iodides and bromides. Adsorption of methyl trifluoroacetate on amorphous silica has been investigated. Fragmentation mechanism of generation of metastable ions from methyl trifluoroacetate has been investigated by mass analyzed ion kinetic energy spectra and ab initio molecular orbital calculations.

Application

Methyl trifluoroacetate has been used as reagent for trifluoroacetylation of amines and amino acids.

Packaging

25, 100 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 2924 8(3) / PGII
WGK Germany 
1
Flash Point(F) 
-4 °F
Flash Point(C) 
-20 °C

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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