1,1-Dichloro-1-(chlorosulfanyl)-2,2,2-trifluoroethane

Base Information

• Chemical Name: 1,1-Dichloro-1-(chlorosulfanyl)-2,2,2-trifluoroethane
• CAS No.: 57159-99-6
• Molecular Formula: C2Cl3F3S
• Molecular Weight: 219.442
• DSSTox Substance ID: DTXSID20543045
• Wikidata: Q82419871
• Mol file: 57159-99-6.mol

Synonyms:1,1-Dichloro-1-(chlorosulfanyl)-2,2,2-trifluoroethane;57159-99-6;SCHEMBL8758759;DTXSID20543045;POMJJOMKSSKXJN-UHFFFAOYSA-N

Chemical Property of 1,1-Dichloro-1-(chlorosulfanyl)-2,2,2-trifluoroethane

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 217.873839
• Heavy Atom Count: 9
• Complexity: 99.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1-Dichloro-1-(chlorosulfanyl)-2,2,2-trifluoroethane

There total 1 articles about 1,1-Dichloro-1-(chlorosulfanyl)-2,2,2-trifluoroethane 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:

4-(1,1-dichloro2,2,2-trifluoro-ethylthio)methylbenzene (103624-51-7) → 1,1-dichloro-2,2,2-trifluoroethanesulfenyl chloride (57159-99-6) + benzyl chloride (100-44-7)

Guidance literature:

With chlorine;

DOI:10.1016/S0040-4039(01)80871-6

Reference yield: 56.0%

1,1-dichloro-2,2,2-trifluoroethanesulfenyl chloride (57159-99-6) + para-thiocresol (106-45-6) → p-tolyltrifluorodithioacetate

Guidance literature:

With zinc(II) chloride; In nitromethane; for 1.5h; Heating;

DOI:10.1016/j.jfluchem.2004.12.011

Reference yield:

1,1-dichloro-2,2,2-trifluoroethanesulfenyl chloride (57159-99-6) + 1,3,5-Trichlor-2,2,4,4,6,6-hexafluor-1,3,5-triazinan (832-34-8) → trifluoro-[1,3,5]triazine (675-14-9) + CF3CCl(2-n)F(n)SCl

Guidance literature:

byproducts: Cl2;

DOI:10.1016/0020-1650(75)80188-7

upstream raw materials:

4-(1,1-dichloro2,2,2-trifluoro-ethylthio)methylbenzene

Downstream raw materials:

trifluoro-[1,3,5]triazine