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Home> Encyclopedia >Pharmaceutical Intermediates>Organic Intermediate>Ester & Derivatives
Ethyl trifluoroacetate structure
Ethyl trifluoroacetate structure

Ethyl trifluoroacetate

Iupac Name:ethyl 2,2,2-trifluoroacetate
CAS No.: 383-63-1
Molecular Weight:142.077
Modify Date.: 2022-11-08 11:42
Introduction: Widely used in the synthetic process of medicine, pesticides and organic intermediate. View more+
1. Names and Identifiers
1.1 Name
Ethyl trifluoroacetate
1.2 Synonyms

7: PN: WO2007101224 PAGE: 36 claimed sequence Acetic acid, 2,2,2-trifluoro-, ethyl ester Acetic acid, trifluoro-, ethyl ester cb1020 EINECS 206-851-6 ETHYL 2,2,2-TRIFLUOROACETATE Ethyl perfluoroacetate Ethyl trifluoroethanoate Ethyl α,α,α-trifluoroacetate fd06h11 MFCD00000419 NSC 220215 RARECHEM AL BI 0416 Threetrifluoroacetic acid ethyl ester TIMTEC-BB SBB008466 TRIFLUOROACETIC ACID ETHYL ESTER

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1.3 CAS No.
1.4 CID
1.6 Molecular Formula
C4H5F3O2 (isomer)
1.7 Inchi
1.8 InChIkey
1.9 Canonical Smiles
1.10 Isomers Smiles
2. Properties
2.1 Density
2.1 Melting point
2.1 Boiling point
2.1 Refractive index
2.1 Flash Point
2.1 Precise Quality
2.1 PSA
2.1 logP
2.1 Solubility
2.2 Appearance
clear, colorless liquid
2.3 Storage
2.4 Chemical Properties
Colorless to yellow liquid
2.5 Color/Form
2.6 PH
4 (4g/l, H2O, 20℃)
2.7 Water Solubility
2.8 Stability
Stable under normal temperatures and pressures.
2.9 StorageTemp
3. Use and Manufacturing
3.1 GHS Classification
Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 50 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H314 (18%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H315 (54%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (58%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H319 (26%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (54%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H412 (14%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
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3.2 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.] Ethyl trifluoroacetate Preparation Products And Raw materials Raw materials
3.3 Usage
Widely used in the synthetic process of medicine, pesticides and organic intermediate.
4. Safety and Handling
4.1 Symbol
GHS02, GHS05, GHS07
4.1 Hazard Codes
4.1 Signal Word
4.1 Risk Statements
4.1 Safety Statements
4.1 Packing Group
4.1 Hazard Class
4.1 Hazard Declaration
UN 1993
4.1 Caution Statement
P210-P261-P280-P305 + P351 + P338
4.1 WGK Germany
4.1 Safety

Hazard Codes:?FlammableF,HarmfulXn,CorrosiveC
Risk Statements: 11-22-37/38-41-34?
R11:Highly flammable.?
R22:Harmful if swallowed.?
R37/38:Irritating to respiratory system and skin.?
R41:Risk of serious damage to the eyes.?
R34:Causes burns.
Safety Statements: 16-26-45-36/37/39?
S16:Keep away from sources of ignition.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 1993 3/PG 2
WGK Germany: 1
HazardClass: 3
PackingGroup: II
HS Code: 29159080
Hazard Note: Flammable/Corrosive

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4.2 Sensitive
Moisture Sensitive
4.3 Specification

?Ethyl trifluoroacetate (CAS NO.383-63-1) should be stored in a tightly closed container and in a cool dry area away from incompatible substances.?In addition, Ethyl trifluoroacetate (CAS NO.383-63-1) could be stable under normal temperatures and pressures. It is not compatible with strong oxidizing agents, strong reducing agents, strong acids, strong bases; and you must not take it with incompatible materials.It should avoid the condition such as incompatible materials, ignition sources, exposure to moist air or water. And also prevent it to broken down into hazardous decomposition products: monoxide, carbon dioxide, hydrogen fluoride gas.
Ethyl trifluoroacetate (CAS NO.383-63-1) is hazardous, so the first aid measures and others should be known. Such as: When on the skin: first, should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes and lift the eyelids occasionally. Seek medical aid. Then get medical aid soon. While, it's inhaled: Remove from exposure and move to fresh air immediately. Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : If victim is conscious and alert, give 2-4 cupfuls of milk or water. Do not induce vomiting. Do not give anything by mouth to an unconscious person. Get medical aid immediately.

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4.4 Toxicity

?Ethyl trifluoroacetate (CAS NO.383-63-1) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.?


2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Eye irritation, Category 2

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Signal word


Hazard statement(s)

H225 Highly flammable liquid and vapour

H319 Causes serious eye irritation

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P264 Wash ... thoroughly after handling.

P273 Avoid release to the environment.


P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.


P403+P235 Store in a well-ventilated place. Keep cool.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


9. Other Information
9.0 Usage
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.
10. Computational chemical data
  • Molecular Weight: 142.077g/mol
  • Molecular Formula: C4H5F3O2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 142.02416388
  • Monoisotopic Mass: 142.02416388
  • Complexity: 107
  • Rotatable Bond Count: 2
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Topological Polar Surface Area: 26.3
  • Heavy Atom Count: 9
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
11. Question & Answer
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13. Realated Product Infomation