Benzenethiol, 2,3,5-trifluoro-4,6-bis(trifluoromethyl)-

Base Information

• Chemical Name: Benzenethiol, 2,3,5-trifluoro-4,6-bis(trifluoromethyl)-
• CAS No.: 2010-75-5
• Molecular Formula: C8HF9S
• Molecular Weight: 300.148
• DSSTox Substance ID: DTXSID20432349
• Wikidata: Q82246421
• Mol file: 2010-75-5.mol

Synonyms:Benzenethiol, 2,3,5-trifluoro-4,6-bis(trifluoromethyl)-;2010-75-5;DTXSID20432349;LMYHNMRHEFUIPG-UHFFFAOYSA-N;AKOS015831870;2,4-bis(trifluoromethyl)-3,5,6-trifluorobenzenethiol

Chemical Property of Benzenethiol, 2,3,5-trifluoro-4,6-bis(trifluoromethyl)-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 0
• Exact Mass: 299.96552466
• Heavy Atom Count: 18
• Complexity: 298

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)F)S)C(F)(F)F)F)C(F)(F)F

Technology Process of Benzenethiol, 2,3,5-trifluoro-4,6-bis(trifluoromethyl)-

There total 2 articles about Benzenethiol, 2,3,5-trifluoro-4,6-bis(trifluoromethyl)- 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:

decafluoro-m-xylene (319-82-4) → 2,4-bis(trifluoromethyl)-3,5,6-trifluorobenzenethiol (2010-75-5)

Guidance literature:

With sodium hydrogensulfide; In pyridine; ethylene glycol;

DOI:10.1039/jr9650002658

Reference yield:

sodium hydrogen sulfide + decafluoro-m-xylene (319-82-4) → 2,4-bis(trifluoromethyl)-3,5,6-trifluorobenzenethiol (2010-75-5)

Guidance literature:

In pyridine; ethylene glycol; below 20°C and acidification with 11 N HCl; by gas chromy.;

DOI:10.1039/jr9650002658

Reference yield: 90.0%

cadmium(II) carbonate (739319-89-2) + 2,4-bis(trifluoromethyl)-3,5,6-trifluorobenzenethiol (2010-75-5) → Cd(2,3,5-trifluoro-4,6-bis(trifluoromethyl)thiophenolate)2

Guidance literature:

In methanol; addn. of CdCO3 to the thiol in MeOH and stirring at intervals for 148 h; filtn., evapn., washing with hexane and drying at room temp. in vac. over Anhydrone; elem. anal.;

upstream raw materials:

decafluoro-m-xylene

Downstream raw materials:

2,3,5-trifluoro-4,6-bis(trifluoromethyl)thioanisole

1,3-bis(trifluoromethyl)-2,4,5-trifluorobenzene

2,4,5-Trifluorisophthalsaeure

2,4-bis(trifluoromethyl)-3,5,6-trifluorobenzenesulfonyl bromide