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Ethyl trifluoroacetate

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Ethyl trifluoroacetate Basic information

Product Name:
Ethyl trifluoroacetate
Synonyms:
  • RARECHEM AL BI 0416
  • ETHYL 2,2,2-TRIFLUOROACETATE
  • ETHYL TRIFLUOROACETATE
  • TIMTEC-BB SBB008466
  • TRIFLUOROACETIC ACID ETHYL ESTER
  • Threetrifluoroacetic acid ethyl ester
  • cb1020
  • fd06h11
CAS:
383-63-1
MF:
C4H5F3O2
MW:
142.08
EINECS:
206-851-6
Product Categories:
  • top
  • organofluorine compounds
  • Building Blocks
  • C2 to C5
  • Carbonyl Compounds
  • Chemical Synthesis
  • Fluoro-Aliphatics
  • Acetics acid and esters
  • Organic Fluorides
  • Fluorinated Building Blocks
  • Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds
  • Synthetic Organic Chemistry
  • Esters
  • Organic Building Blocks
  • Pharmaceutical intermediates
  • 383-63-1
  • bc0001
  • K00001
Mol File:
383-63-1.mol
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Ethyl trifluoroacetate Chemical Properties

Melting point:
-78 °C
Boiling point:
60-62 °C(lit.)
Density 
1.194 g/mL at 25 °C(lit.)
vapor pressure 
18.5kPa at 20℃
refractive index 
n20/D 1.307(lit.)
Flash point:
30 °F
storage temp. 
2-8°C
solubility 
4g/l
form 
Liquid
pka
0.43[at 20 ℃]
Specific Gravity
1.194
color 
Clear
PH
4 (4g/l, H2O, 20℃)
Water Solubility 
HYDROLYSIS
Sensitive 
Moisture Sensitive
BRN 
1761411
Stability:
Hygroscopic, Moisture Sensitive, Volatile
InChIKey
STSCVKRWJPWALQ-UHFFFAOYSA-N
LogP
0.79-1.032 at 25℃
CAS DataBase Reference
383-63-1(CAS DataBase Reference)
NIST Chemistry Reference
Acetic acid, trifluoro-, ethyl ester(383-63-1)
EPA Substance Registry System
Ethyl trifluoroacetate (383-63-1)
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Safety Information

Hazard Codes 
F,Xn,C
Risk Statements 
11-22-37/38-41-34
Safety Statements 
9-16-26-36/39-45-36/37/39
RIDADR 
UN 1993 3/PG 2
WGK Germany 
1
Hazard Note 
Flammable/Corrosive
TSCA 
T
HazardClass 
3
PackingGroup 
II
HS Code 
29159080

MSDS

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Ethyl trifluoroacetate Usage And Synthesis

Chemical Properties

Colorless to yellow liquid

Uses

Widely used in the synthetic process of medicine, pesticides and organic intermediate.

Uses

Ethyl trifluoroacetate is used as an intermediate in organic synthesis to prepare organic fluorine compounds like 3-ethyl-1-methylimidazolium trifluoroacetate (EMITA). It is involved in the syntheses of various pharmaceutically active molecules and agricultural products. It is also useful for the preparation of tri fluoroacylated compounds.

Uses

Ethyl Trifluoroacetate is an intermediate used in the synthesis of various pharmaceutically active molecules and agricultural products. Ethyl Trifluoroacetate is also useful for the preparation of tri fluoroacylated compounds.

Preparation

Trifluoroacetic acid and ethanol were used as starting materials with strong-acid cation exchange resin as catalysts at 40 ~ 50 she℃. Add ethanol drop and temperature rising reflux divides the mixture of water and ethanol. After that, collect the mix of thick product ethanol and Ethyl trifluoroacetate. The crude product collected is added a small amount of water, and layering can obtain a content of more than 99.5%. The qualified product Ethyl trifluoroacetate, whose moisture is less than 0.1%, yields more than 95%.

Definition

ChEBI: TRIFLUOROACETIC ACID ETHYL ESTER is an organohalogen compound. It is functionally related to a carboxylic acid.

Synthesis Reference(s)

Journal of the American Chemical Society, 72, p. 3527, 1950 DOI: 10.1021/ja01164a056

Flammability and Explosibility

Highly flammable

Purification Methods

Fractionate it through a long Vigreux column (p 11). IR has max at 1800 (CO2) and 1000 (OCO) cm-1 [Fuson et al. J Chem Phys 20 1627 1952, Bergman J Org Chem 23 476 1958]. [Beilstein 2 IV 463.]

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