ChemicalBook CAS DataBase List 383-63-1

383-63-1

Name	Ethyl trifluoroacetate
CAS	383-63-1
EINECS(EC#)	206-851-6
Molecular Formula	C4H5F3O2
MDL Number	MFCD00000419
Molecular Weight	142.08
MOL File	383-63-1.mol

Synonyms

ETHYL 2,2,2-TRIFLUOROACETATE ETHYL TRIFLUOROACETATE RARECHEM AL BI 0416 TIMTEC-BB SBB008466 TRIFLUOROACETIC ACID ETHYL ESTER VITAS-BB TBB000648 aceticacid,trifluoro-,ethylester CF3COOC2H5 Ethyl ester of Trifluoroacetic acid Ethyl trifluoroethanoate ethylperfluoroacetate Trifluoressigsαureethylester trifluoro-aceticaciethylester 3,4,5-Trimethoxybenzenesulfonic Acid Sodium TFAET ETHYL TRIFLUOROACETATE 98% (GC) Ethyl trifluoroacetate,99% Ethyl trifluoroacetate 99% 2,2,2-TRIFLOUROETHYL ACETATE (TFAET) Ethyltrifluoracetat

Chemical Properties

Appearance	Colorless to yellow liquid
Melting point	-78 °C
Boiling point	60-62 °C(lit.)
density	1.194 g/mL at 25 °C(lit.)
vapor pressure	18.5kPa@20°C
refractive index	n20/D 1.307(lit.)
Fp	30 °F
storage temp.	2-8°C
solubility	4g/l
form	Liquid
pka	0.43[at 20 °C]
color	Clear
Specific Gravity	1.194
PH	4 (4g/l, H2O, 20℃)
Water Solubility	HYDROLYSIS
Sensitive	Moisture Sensitive
Detection Methods	GC
BRN	1761411
Henry's Law Constant	8.9×10^-4 mol/(m³Pa) at 25℃, Burkholder et al. (2019)
Stability:	Hygroscopic, Moisture Sensitive, Volatile
InChI	1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
InChIKey	STSCVKRWJPWALQ-UHFFFAOYSA-N
SMILES	CCOC(=O)C(F)(F)F
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)
Storage Precautions	Moisture sensitive
EPA Substance Registry System	383-63-1(EPA Substance)

Safety Data

Symbol(GHS)	GHS02,GHS05,GHS07
Signal word	Danger
Hazard statements	H225-H302-H315-H318-H335
Precautionary statements	P210-P261-P280-P305+P351+P338
Hazard Codes	F,Xn,C
Risk Statements	R11:Highly Flammable. R22:Harmful if swallowed. R37/38:Irritating to respiratory system and skin . R41:Risk of serious damage to eyes. R34:Causes burns. less more
Safety Statements	S9:Keep container in a well-ventilated place . S16:Keep away from sources of ignition-No smoking . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/39:Wear suitable protective clothing and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . less more
RIDADR	UN 1993 3/PG 2
WGK Germany	1
Hazard Note	Flammable/Corrosive
TSCA	T
REACH Registrations	Active
HazardClass	3
PackingGroup	II
HS Code	29159080
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 4 Oral Eye Dam. 1 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3

Raw materials And Preparation Products

Hazard Information

Chemical Properties

Colorless to yellow liquid

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.

Uses

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

Definition

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

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%.

Synthesis Reference(s)

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

Flammability and Explosibility

Highlyflammable(100%)

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.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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