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  • 383-63-1 Structure
  • Basic information

    1. Product Name: Ethyl trifluoroacetate
    2. Synonyms: aceticacid,trifluoro-,ethylester;CF3COOC2H5;Ethyl ester of Trifluoroacetic acid;Ethyl trifluoroethanoate;ethylperfluoroacetate;Trifluoressigsαureethylester;trifluoro-aceticaciethylester;ETHYL 2,2,2-TRIFLUOROACETATE
    3. CAS NO:383-63-1
    4. Molecular Formula: C4H5F3O2
    5. Molecular Weight: 142.08
    6. EINECS: 206-851-6
    7. Product Categories: Fluoro-Aliphatics ;Acetics acid and esters;Organic Fluorides;Fluorinated Building Blocks;Fluorinating Reagents & Building Blocks for Fluorinated Biochemical Compounds;Synthetic Organic Chemistry;organofluorine compounds;Building Blocks;C2 to C5;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks;Pharmaceutical intermediates
    8. Mol File: 383-63-1.mol
    9. Article Data: 56
  • Chemical Properties

    1. Melting Point: -78 °C
    2. Boiling Point: 60-62 °C(lit.)
    3. Flash Point: 30 °F
    4. Appearance: Clear/Liquid
    5. Density: 1.194 g/mL at 25 °C(lit.)
    6. Vapor Pressure: 56mmHg at 25°C
    7. Refractive Index: n20/D 1.307(lit.)
    8. Storage Temp.: 2-8°C
    9. Solubility: 4g/l
    10. PKA: 0.43[at 20 ℃]
    11. Water Solubility: HYDROLYSIS
    12. Sensitive: Moisture Sensitive
    13. BRN: 1761411
    14. CAS DataBase Reference: Ethyl trifluoroacetate(CAS DataBase Reference)
    15. NIST Chemistry Reference: Ethyl trifluoroacetate(383-63-1)
    16. EPA Substance Registry System: Ethyl trifluoroacetate(383-63-1)
  • Safety Data

    1. Hazard Codes: F,Xn,C
    2. Statements: 11-22-37/38-41-34
    3. Safety Statements: 9-16-26-36/39-45-36/37/39
    4. RIDADR: UN 1993 3/PG 2
    5. WGK Germany: 1
    6. RTECS:
    7. TSCA: T
    8. HazardClass: 3
    9. PackingGroup: II
    10. Hazardous Substances Data: 383-63-1(Hazardous Substances Data)

383-63-1 Usage

Description

Ethyl trifluoroacetate is a colorless to yellow liquid that serves as an intermediate in organic synthesis. It is primarily used for the preparation of organic fluorine compounds, pharmaceutically active molecules, and agricultural products. Its chemical properties make it a versatile compound in various industries.

Uses

Used in Organic Synthesis:
Ethyl trifluoroacetate is used as an intermediate for the synthesis of organic fluorine compounds, such as 3-ethyl-1-methylimidazolium trifluoroacetate (EMITA). It plays a crucial role in the development of these compounds due to its unique chemical properties.
Used in Pharmaceutical Industry:
Ethyl trifluoroacetate is used as an intermediate in the synthesis of various pharmaceutically active molecules. Its involvement in the production of these molecules contributes to the development of new drugs and treatments for various medical conditions.
Used in Agricultural Industry:
Ethyl trifluoroacetate is also utilized in the synthesis of agricultural products. Its application in this industry helps in the development of new and improved products for agricultural use, such as pesticides and fertilizers.
Used in Preparation of Trifluoroacylated Compounds:
Ethyl trifluoroacetate is useful for the preparation of trifluoroacylated compounds, which have applications in various fields, including pharmaceuticals and materials science. Its role in the synthesis of these compounds highlights its versatility and importance in chemical research and development.

Flammability and Explosibility

Highlyflammable

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.]

Check Digit Verification of cas no

The CAS Registry Mumber 383-63-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 3,8 and 3 respectively; the second part has 2 digits, 6 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 383-63:
(5*3)+(4*8)+(3*3)+(2*6)+(1*3)=71
71 % 10 = 1
So 383-63-1 is a valid CAS Registry Number.
InChI:InChI=1/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3

383-63-1 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • TCI America

  • (T0432)  Ethyl Trifluoroacetate  >99.0%(GC)

  • 383-63-1

  • 25g

  • 180.00CNY

  • Detail
  • TCI America

  • (T0432)  Ethyl Trifluoroacetate  >99.0%(GC)

  • 383-63-1

  • 100g

  • 480.00CNY

  • Detail
  • TCI America

  • (T0432)  Ethyl Trifluoroacetate  >99.0%(GC)

  • 383-63-1

  • 500g

  • 1,590.00CNY

  • Detail
  • Alfa Aesar

  • (A11520)  Ethyl trifluoroacetate, 99%   

  • 383-63-1

  • 50g

  • 269.0CNY

  • Detail
  • Alfa Aesar

  • (A11520)  Ethyl trifluoroacetate, 99%   

  • 383-63-1

  • 250g

  • 740.0CNY

  • Detail
  • Alfa Aesar

  • (A11520)  Ethyl trifluoroacetate, 99%   

  • 383-63-1

  • 1000g

  • 2657.0CNY

  • Detail

383-63-1Relevant articles and documents

Stable carbocations XXIII. Generation and isolation of salts of ferrocenyl(alkoxy)methylium cations and their intermediacy in acid-promoted acetal hydrolysis

Kenny, T. P. E.,Knipe, A. C.,Watts, W. E.

, p. 257 - 261 (1991)

Ferrocenyl(aloxy)methylium cations have been generated from (dialkoxymethyl)ferrocenes and isolated as tetrafluoroborate salts.Their structures and their reactivity towards nucleophiles have been investigated.

Barnes et al.

, p. 2175,2176-2178 (1972)

A facial chemoenzymatic method for the preparation of chiral 1,2-dihydroxy-3,3,3,-trifluoropropanephosphonates

Yuan, Chengye,Li, Jinfeng,Zhang, Wenchi

, p. 44 - 47 (2006)

A convenient and effective method for the preparation of chiral trifluoromethylated 1,2-dihydroxypropanephosphonates based on a chemoenzymatic approach was described. Ethyl trifluoromethylacetate was reacted with anion of methylphosphonate to give 2-oxo-3,3,3-trifluoropropanephosphonate and its hydrates, 2,2-dihydroxy-3,3,3-trifluoropropanephosphonates, which are reduced with sodium boronhydride affording 2-hydroxy-3,3,3-trifluoropropanephosphonates. The product thus obtained was then transferred to corresponding 1,2-vinyl-3,3,3-trifluoropropanephosphonate and followed by 1,2-dihydroxylation via potassium permanganate treatment. Enzymatic kinetic resolution of the resultant racemate by CALB or IM provided optically active 1,2-dihydroxy-3,3,3- trifluoropropanephosphonate with satisfactory chemical and enantiomeric yield.

Aerobic Partial Oxidation of Alkanes Using Photodriven Iron Catalysis

Cao, Yuan,Coutard, Nathan,Goldberg, Jonathan M.,Groves, John T.,Gunnoe, T. Brent,Jeffrey, Philip D.,Jia, Xiaofan,Valle, Henry U.

supporting information, (2022/01/11)

Photodriven oxidations of alkanes in trifluoroacetic acid using commercial and synthesized Fe(III) sources as catalyst precursors and dioxygen (O2) as the terminal oxidant are reported. The reactions produce alkyl esters and occur at ambient temperature in the presence of air, and catalytic turnover is observed for the oxidation of methane in a pure O2 atmosphere. Under optimized conditions, approximately 17% conversion of methane to methyl trifluoroacetate at more than 50% selectivity is observed. It is demonstrated that methyl trifluoroacetate is stable under catalytic conditions, and thus overoxidized products are not formed through secondary oxidation of methyl trifluoroacetate.

Low-Flammable Parahydrogen-Polarized MRI Contrast Agents

Ariyasingha, Nuwandi M.,Chekmenev, Eduard Y.,Chukanov, Nikita V.,Gelovani, Juri G.,Joalland, Baptiste,Koptyug, Igor V.,Kovtunov, Kirill V.,Nantogma, Shiraz,Salnikov, Oleg G.,Younes, Hassan R.

, p. 2774 - 2781 (2021/01/18)

Many MRI contrast agents formed with the parahydrogen-induced polarization (PHIP) technique exhibit biocompatible profiles. In the context of respiratory imaging with inhalable molecular contrast agents, the development of nonflammable contrast agents would nonetheless be highly beneficial for the biomedical translation of this sensitive, high-throughput and affordable hyperpolarization technique. To this end, we assess the hydrogenation kinetics, the polarization levels and the lifetimes of PHIP hyperpolarized products (acids, ethers and esters) at various degrees of fluorine substitution. The results highlight important trends as a function of molecular structure that are instrumental for the design of new, safe contrast agents for in vivo imaging applications of the PHIP technique, with an emphasis on the highly volatile group of ethers used as inhalable anesthetics.

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