[(2,2-Dichloro-1-fluoroethenyl)sulfanyl]benzene

Base Information

• Chemical Name: [(2,2-Dichloro-1-fluoroethenyl)sulfanyl]benzene
• CAS No.: 56354-46-2
• Molecular Formula: C8H5Cl2FS
• Molecular Weight: 223.098
• DSSTox Substance ID: DTXSID60534836

Synonyms:56354-46-2;[(2,2-Dichloro-1-fluoroethenyl)sulfanyl]benzene;DTXSID60534836

Chemical Property of [(2,2-Dichloro-1-fluoroethenyl)sulfanyl]benzene

Chemical Property:

• PSA: 25.30000
• LogP: 4.35240
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 221.9473049
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [(2,2-Dichloro-1-fluoroethenyl)sulfanyl]benzene

There total 3 articles about [(2,2-Dichloro-1-fluoroethenyl)sulfanyl]benzene 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: 85.0%

2,2-dichloro-1,1-difluoro-1-(phenyl thio) ethane (56354-34-8) → 2,2-dichloro-1-fluoro-1-(phenyl thio) ethylene (56354-46-2)

Guidance literature:

With potassium hydroxide; at 120 ℃; for 10h;

DOI:10.1016/S0040-4020(00)00242-8

Reference yield:

1,1-difluorotetrachloroethane (76-11-9) + sodium thiophenolate (930-69-8) → 2,2-dichloro-1-fluoro-1-(phenyl thio) ethylene (56354-46-2) + (2,2,2-Trichloro-1,1-difluoro-ethylsulfanyl)-benzene + diphenyldisulfane (882-33-7)

Guidance literature:

In N,N-dimethyl-formamide; at -55 ℃; for 0.25h;

DOI:10.1016/S0022-1139(00)80535-7

Reference yield:

1,1-difluorotetrachloroethane (76-11-9) + sodium thiophenolate (930-69-8) → 2,2-dichloro-1,1-difluoro-1-(phenyl thio) ethane (56354-34-8) + 2,2-dichloro-1-fluoro-1-(phenyl thio) ethylene (56354-46-2) + (2,2,2-Trichloro-1,1-difluoro-ethylsulfanyl)-benzene + diphenyldisulfane (882-33-7)

Guidance literature:

In diethylene glycol dimethyl ether; for 24h; Ambient temperature;

DOI:10.1016/S0022-1139(00)80535-7

upstream raw materials:

2,2-dichloro-1,1-difluoro-1-(phenyl thio) ethane

1,1-difluorotetrachloroethane

sodium thiophenolate

Downstream raw materials:

[(2,2-dichloro-1-fluoroethenyl)sulfinyl] benzene

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