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Merck

E50000

Ethyl trifluoroacetate

99%

Synonym(s):

Trifluoroacetic acid ethyl ester

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About This Item

Linear Formula:
CF3COOC2H5
CAS Number:
Molecular Weight:
142.08
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
206-851-6
Beilstein/REAXYS Number:
1761411
MDL number:
Assay:
99%
Form:
liquid
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Quality Segment

assay

99%

form

liquid

refractive index

n20/D 1.307 (lit.)

bp

60-62 °C (lit.)

density

1.194 g/mL at 25 °C (lit.)

SMILES string

CCOC(=O)C(F)(F)F

InChI

1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

InChI key

STSCVKRWJPWALQ-UHFFFAOYSA-N

Application

Ethyl trifluoroacetate can be used:
  • To synthesize cyclopentenones or furans containing trifluoromethyl group from aromatic ynones.
  • In the selective trifluoroacetylation of anilines catalyzed by 4-dimethylaminopyridine.
  • As a starting material in the two-step electrosynthesis of trifluoroacetyltrimethylsilane (CF3COSiMe3).
  • In the preparation of trifluoromethyl ketones via trifluoroacetic ester/ketone metathesis with alkyl aryl ketones.
  • To synthesize o-fluorinated trifluoro acetophenones from substituted fluorobenzene.



signalword

Danger

Storage Class

3 - Flammable liquids

flash_point_f

30.2 °F - closed cup

flash_point_c

-1 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

pictograms

FlameExclamation mark

hcodes

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2



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