Benzene, 1-chloro-3-(trifluoroethenyl)-

Base Information

• Chemical Name: Benzene, 1-chloro-3-(trifluoroethenyl)-
• CAS No.: 58174-56-4
• Molecular Formula: C8H4ClF3
• Molecular Weight: 192.568
• DSSTox Substance ID: DTXSID00481734
• Nikkaji Number: J495.164F

Synonyms:Benzene, 1-chloro-3-(trifluoroethenyl)-;58174-56-4;DTXSID00481734;m-chloro-alpha,beta,beta-trifluorostyrene

Chemical Property of Benzene, 1-chloro-3-(trifluoroethenyl)-

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.9953623
• Heavy Atom Count: 12
• Complexity: 187

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C(=C(F)F)F

Technology Process of Benzene, 1-chloro-3-(trifluoroethenyl)-

There total 7 articles about Benzene, 1-chloro-3-(trifluoroethenyl)- 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: 90.0%

1-(3'-chlorophenyl)-1-trimethylsilyl-1,2,2,2-tetrafluoroethane (946152-81-4) → C8H5ClF4 + 3'-chloro-1,2,2-trifluorostyrene (58174-56-4)

Guidance literature:

With tetrabutylammonium triphenyldifluorosilicate; In hexane; at 60 ℃; for 0.166667h;

DOI:10.1021/jo070721h

Reference yield: 78.0%

1,1,1,2-tetrafluoroethane (811-97-2) + 3-iodochlorobenzene (625-99-0) → 3'-chloro-1,2,2-trifluorostyrene (58174-56-4)

Guidance literature:

1,1,1,2-tetrafluoroethane; With zinc(II) chloride; lithium diisopropyl amide; In tetrahydrofuran; at 15 - 20 ℃;

3-iodochlorobenzene; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; at 65 ℃; for 2h;

DOI:10.1021/jo049179c

Reference yield:

1-(3'-chlorophenyl)-1-trimethylsilyl-1,2,2,2-tetrafluoroethane (946152-81-4) → 1,3-bis(3'-chlorophenyl)hexafluoro-1-butene + C8H5ClF4 + 3'-chloro-1,2,2-trifluorostyrene (58174-56-4)

Guidance literature:

With tetrabutylammonium triphenyldifluorosilicate; In tetrahydrofuran; at -40 ℃;

DOI:10.1021/jo070721h

upstream raw materials:

1,1,1,2-tetrafluoroethane

3-iodochlorobenzene

1-(3'-chlorophenyl)-1-trimethylsilyl-1,2,2,2-tetrafluoroethane

1-chloro-3-(pentafluoroethyl)benzene

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