Ethyl 2-chlorotetrafluoropropionate

Base Information

• Chemical Name: Ethyl 2-chlorotetrafluoropropionate
• CAS No.: 5829-03-8
• Molecular Formula: C5H5ClF4O2
• Molecular Weight: 208.54
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID80382114
• Mol file: 5829-03-8.mol

Synonyms:Ethyl 2-chlorotetrafluoropropionate;5829-03-8;ethyl 2-chloro-2,3,3,3-tetrafluoropropanoate;2-Chlorotetrafluoropropanoic acid ethyl ester;MFCD00155714;DTXSID80382114;ethyl 2-chlorotetrafluoropropanoate;AKOS007930434;FT-0635870

Chemical Property of Ethyl 2-chlorotetrafluoropropionate

Chemical Property:

• Vapor Pressure: 12.5mmHg at 25°C
• Refractive Index: 1.357
• Boiling Point: 124.8°Cat760mmHg
• Flash Point: 38.3°C
• PSA: 26.30000
• Density: 1.41g/cm³
• LogP: 2.01640
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 207.9914197
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99%, ^*data from raw suppliers

Ethyl 2-chlorotetrafluoropropionate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(F)(F)F)(F)Cl

Technology Process of Ethyl 2-chlorotetrafluoropropionate

There total 7 articles about Ethyl 2-chlorotetrafluoropropionate 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: 65.0%

perfluoropropylene (116-15-4,13429-24-8,25120-07-4,6792-31-0) + ethanol (64-17-5) + ethyl acetate (141-78-6) → 2-Chloro-F-propane (76-18-6) + α-Chlor-perfluorpropionsaeure-aethylester (5829-03-8)

Guidance literature:

With chlorine monofluoride; Yield given. Multistep reaction; 1.) Freon 113; 2.) 20 - 25 deg C, 30 min.;

Reference yield:

Tetrafluor-2-nitroso-propionsaeure-aethylester (2738-17-2) → α-Chlor-perfluorpropionsaeure-aethylester (5829-03-8)

Guidance literature:

With chlorine;

Reference yield:

(Z)-1-Ethoxy-1,2,3,3,3-pentafluoro-propene (17648-12-3) → α-Chlor-perfluorpropionsaeure-aethylester (5829-03-8)

Guidance literature:

Multi-step reaction with 2 steps

1: (i) NO₂, CCl₂F₂, (ii) H₂O

2: Cl₂

With chlorine;

upstream raw materials:

Hexafluoropropene oxide

ethanol

2-chlorohexafluoropropyl fluorosulfate

1,2-Dichlorpentafluorpropyl-aethyl-aether

Downstream raw materials:

2-chloro-2,3,3,3-tetrafluoropropionamide

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