Ethyl dichlorofluoroacetate

Base Information

• Chemical Name: Ethyl dichlorofluoroacetate
• CAS No.: 383-61-9
• Molecular Formula: C4H5 Cl2 F O2
• Molecular Weight: 174.987
• Hs Code.: 2915900090
• European Community (EC) Number: 206-849-5
• UNII: 822G3H96E5
• DSSTox Substance ID: DTXSID10191670
• Nikkaji Number: J213.611B
• Wikidata: Q83064244
• Mol file: 383-61-9.mol

Synonyms:Ethyl dichlorofluoroacetate;383-61-9;Ethyldichlorofluoroacetate;ethyl 2,2-dichloro-2-fluoroacetate;EINECS 206-849-5;MFCD00013664;822G3H96E5;C4H5Cl2FO2;ethyl dichloro(fluoro)acetate;SCHEMBL2420080;C4-H5-Cl2-F-O2;UNII-822G3H96E5;DTXSID10191670;Dichlorofluoroacetic acid ethyl ester;BBL101674;STL555470;AKOS006229876;MS-20259;FT-0626179;A824120;ACETIC ACID, 2,2-DICHLORO-2-FLUORO-, ETHYL ESTER

Chemical Property of Ethyl dichlorofluoroacetate

Chemical Property:

• Vapor Pressure: 9.34mmHg at 25°C
• Refractive Index: 1.4002 (589.3 nm 30℃)
• Boiling Point: 131.3°Cat760mmHg
• Flash Point: 46.5°C
• PSA: 26.30000
• Density: 1.385g/cm³
• LogP: 1.65040
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Ethyl Acetate (Sparingly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 173.9650629
• Heavy Atom Count: 9
• Complexity: 115

Purity/Quality:

98%min ^*data from raw suppliers

EthylDichlorofluoroacetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R11:Highly flammable.; R34:Causes burns.
• Hazard Codes: R11:Highly flammable.; R34:Causes burns.
• Statements: R11:Highly flammable.; R34:Causes burns.
• Safety Statements: S16:Keep away from sources of ignition - No smoking.; S26:In case of contact with eyes, rinse immediately with plenty of

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl dichlorofluoroacetate

There total 4 articles about Ethyl dichlorofluoroacetate 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:

ethanol (64-17-5) + dichlorofluoroacetic acid (354-19-8) → ethyl 2,2-dichloro-2-fluoroacetate (383-61-9)

Guidance literature:

With sulfuric acid;

DOI:10.1021/ja01518a013 DOI:10.1021/ja01572a051

Reference yield:

1,1,2,2-tetrachloroethylene (127-18-4) + ethanol (64-17-5) → ethyl 2,2-dichloro-2-fluoroacetate (383-61-9)

Guidance literature:

With xenon difluoride; fluorosulphonic acid; Multistep reaction;

Reference yield:

1,1,2,2-tetrachloroethylene (127-18-4) + fluoroxenonium fluorosulfate (25519-01-1) → ethyl 2,2-dichloro-2-fluoroacetate (383-61-9)

Guidance literature:

In dichloromethane; byproducts: Xe; temp. range from -78 to -30°C; treatment with EtOH;

upstream raw materials:

ethanol

dichlorofluoroacetic acid

1,1,2,2-tetrachloroethylene

fluoroxenonium fluorosulfate

Downstream raw materials:

dichloro-fluoro-acetic acid-((S)-1-methyl-2-phenyl-ethylamide)

2,2-dichloro-2-fluoro-1,1-diphenyl-ethanol

1,1-Dichloro-1-fluoro-3-((S)-toluene-4-sulfinyl)-propane-2,2-diol

(2R,S_S)-1,1-Dichloro-1-fluoro-3-<(4-methylphenyl)sulfinyl>propan-2-ol

Refernces