Ethane, 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)-

Base Information

• Chemical Name: Ethane, 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)-
• CAS No.: 94720-90-8
• Molecular Formula: C3HCl3F4O
• Molecular Weight: 235.393
• European Community (EC) Number: 619-065-7
• DSSTox Substance ID: DTXSID40535326

Synonyms:Ethane, 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)-;94720-90-8;1,2,2-Trichloro-2-fluoroethyl trifluoromethyl ether;SCHEMBL24496173;DTXSID40535326;NS00134162;1-fluoro-2-trifluoromethoxy-1,1,2-trichloroethane;1,1,2-Trichloro-1-fluoro-2-(trifluoromethoxy)ethane

Chemical Property of Ethane, 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)-

Chemical Property:

• Boiling Point: 86℃[at 101 325 Pa]
• PSA: 9.23000
• Density: 1.6[at 20℃]
• LogP: 3.18860
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 233.902910
• Heavy Atom Count: 11
• Complexity: 135

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(F)(Cl)Cl)(OC(F)(F)F)Cl

Technology Process of Ethane, 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)-

There total 2 articles about Ethane, 1,1,2-trichloro-1-fluoro-2-(trifluoromethoxy)- 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:

hypofluorous acid trifluoromethyl ester (373-91-1) + Trichloroethylene (79-01-6) → phosgene (75-44-5) + dichloroacethyl chloride (79-36-7) + 1,2,2-trichloro-1,2-difluoroethane (354-15-4) + chlorofluoroacetyl chloride (359-32-0) + 1-fluoro-2-trifluoromethyl-1,1,2-trichloroethane (94720-90-8) + Chloro-trifluoromethoxy-acetyl chloride

Guidance literature:

With oxygen; at 20.6 ℃; Rate constant; Mechanism; various pressures and temperatures;

Reference yield:

hypofluorous acid trifluoromethyl ester (373-91-1) + Trichloroethylene (79-01-6) + 1,2-dichloro-1,2-difluoroethene (598-88-9) → 1-trifluoromethoxy-1,2-dichlorotrifluoroethane (2356-53-8) + 1-fluoro-2-trifluoromethyl-1,1,2-trichloroethane (94720-90-8) + CF3O-CCl2-CHClF

Guidance literature:

In trichlorofluoromethane; at -78 ℃; Rate constant; Product distribution; competition with ClFC=CClF and Cl₂C=CHCl, relative addition rates and orientation ratios;

DOI:10.1021/jo00125a033

Reference yield:

1-fluoro-2-trifluoromethyl-1,1,2-trichloroethane (94720-90-8) → 2-Chloro-1,1,2,2-tetrafluoroethyl trifluoromethyl ether (1561-50-8) + 1-trifluoromethoxy-1,2-dichlorotrifluoroethane (2356-53-8) + (2,2-Dichlor-1,1,2-trifluorethyl)-trifluormethyl-ether (25476-71-5)

Guidance literature:

With stannous fluoride; fluorine; 1) -111 to 20 deg C, 20h, 2) 100 deg C, 6h;

DOI:10.1246/cl.1991.1421

upstream raw materials:

hypofluorous acid trifluoromethyl ester

Trichloroethylene

1,2-dichloro-1,2-difluoroethene

Downstream raw materials:

2-Chloro-1,1,2,2-tetrafluoroethyl trifluoromethyl ether

1-trifluoromethoxy-1,2-dichlorotrifluoroethane

(2,2-Dichlor-1,1,2-trifluorethyl)-trifluormethyl-ether

1,1,2-Trichloro-1,2-difluoro-2-trifluoromethoxy-ethane

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