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  • 443700 - Ethyl 4,4,4-trifluorobutyrate

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443700 Sigma-Aldrich

Ethyl 4,4,4-trifluorobutyrate

≥98%

  • CAS Number 371-26-6

  • Linear Formula CF3CH2CH2CO2C2H5

  • Molecular Weight 170.13

  •  MDL number MFCD00041398

  •  PubChem Substance ID 24868070

  •  NACRES NA.22

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Properties

Related Categories Analytical Reagents, Analytical/Chromatography, Building Blocks, C6 to C7, Carbonyl Compounds,
Quality Level   100
assay   ≥98%
refractive index   n20/D 1.3516 (lit.)
bp   127 °C (lit.)
density   1.16 g/mL at 25 °C (lit.)
SMILES string   CCOC(=O)CCC(F)(F)F
InChI   1S/C6H9F3O2/c1-2-11-5(10)3-4-6(7,8)9/h2-4H2,1H3
InChI key   PSRZMXNNQTWAGB-UHFFFAOYSA-N

Description

General description

Ethyl 4,4,4-trifluorobutyrate is an ethyl ester of 4,4,4-tributyric acid. It is a useful spin trapping reagent used for ESR/EPR spectroscopy. It can be synthesized from Grignard reagent derived from 3-chloro-1,1,1-trifluoropropane..

Packaging

5 g in glass bottle

Safety & Documentation

Safety Information

Symbol 
Signal word 
Warning
Target organs 
Respiratory system
RIDADR 
UN 3272 3 / PGIII
WGK Germany 
WGK 3
Flash Point(F) 
91.4 °F - closed cup
Flash Point(C) 
33 °C - closed cup

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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