Ethyl chlorofluoroacetate

Base Information

• Chemical Name: Ethyl chlorofluoroacetate
• CAS No.: 401-56-9
• Molecular Formula: C₄H₆ClFO₂
• Molecular Weight: 140.542
• Hs Code.: 29159000
• European Community (EC) Number: 206-930-5
• DSSTox Substance ID: DTXSID20870525
• Nikkaji Number: J213.648A
• Mol file: 401-56-9.mol

Synonyms:Ethyl chlorofluoroacetate;401-56-9;ethyl 2-chloro-2-fluoroacetate;Acetic acid, chlorofluoro-, ethyl ester;Chlorofluoroacetic Acid Ethyl Ester;EthylChlorofluoroacetate;Acetic acid, 2-chloro-2-fluoro-, ethyl ester;EINECS 206-930-5;AI3-51573;ethyl chloro(fluoro)acetate;ethyl fluorochloroacetate;C4H6ClFO2;SCHEMBL103131;Ethyl chlorofluoroacetate, 98%;WUHVJSONZHSDFC-UHFFFAOYSA-;AMY3056;DTXSID20870525;BCP26409;MFCD00039333;AKOS005255093;FS-4126;FT-0626171;EN300-118681

Chemical Property of Ethyl chlorofluoroacetate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 10.4mmHg at 25°C
• Refractive Index: n20/D 1.396(lit.)
• Boiling Point: 129 °C at 760 mmHg
• Flash Point: 44.3 °C
• PSA: 26.30000
• Density: 1.219 g/cm³
• LogP: 1.08390
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 140.0040353
• Heavy Atom Count: 8
• Complexity: 86.1

Purity/Quality:

96% ^*data from raw suppliers

Ethyl Chlorofluoroacetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,F,Xi
• Hazard Codes: C,F,Xi
• Statements: 10-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C(F)Cl
• Uses: Ethyl chlorofluoroacetate may be used in the synthesis of:chlorofluoroacetamideethyl α-fluoro silyl enol etherchlorofluoroacetyl chloride

Technology Process of Ethyl chlorofluoroacetate

There total 9 articles about Ethyl chlorofluoroacetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 48.5%

ethanol (64-17-5) + chlorofluoroacetyl chloride (359-32-0) → ethyl chlorofluoroacetate (401-56-9,96290-79-8)

Guidance literature:

DOI:10.1016/S0022-1139(00)82333-7

Reference yield: 47.0%

ethanol (64-17-5) + chlorofluoroacetyl fluoride (359-34-2) → ethyl chlorofluoroacetate (401-56-9,96290-79-8)

Guidance literature:

DOI:10.1016/S0022-1139(00)82333-7

Reference yield:

ethoxyflurane (310-71-4) → ethyl chlorofluoroacetate (401-56-9,96290-79-8)

Guidance literature:

With sulfuric acid; at 10 ℃;

upstream raw materials:

ethoxyflurane

ethyl 2-fluoroacetate

chloro-fluoro-orthoacetic acid triethyl ester

diazoacetic acid ethyl ester

Downstream raw materials:

2-chloro-1,1-bis-(4-chloro-phenyl)-2-fluoro-ethanol

ethyl(diethylphosphono)(fluoro)acetate

ethyl 2-(p-chlorophenylthio)-2-fluoroacetate

(5-Cyano-6-methyl-2-phenyl-pyrimidin-4-ylsulfanyl)-fluoro-acetic acid ethyl ester

Refernces

• 1、 Nguyen, Thoai. "TRANSFORMATION D'OXYDES D'ALKYLES ET DE POLYFLUOROALKYLES PAR LES ACIDES DE LEWIS. INFLUENCE DES RADICAUX ALKYLES.". . p. 95 - 106. Retrieved 2007/10/02.