Di-4-fluorophenyl sulfide

Base Information

• Chemical Name: Di-4-fluorophenyl sulfide
• CAS No.: 405-31-2
• Molecular Formula: C12H8F2S2
• Molecular Weight: 254.324
• Hs Code.: 2930909090
• European Community (EC) Number: 609-845-5
• DSSTox Substance ID: DTXSID60193508
• Nikkaji Number: J305.684H
• Wikidata: Q83066253
• Mol file: 405-31-2.mol

Synonyms:Di-4-fluorophenyl sulfide;405-31-2;1-fluoro-4-[(4-fluorophenyl)disulfanyl]benzene;bis(4-fluorophenyl) disulfide;1,2-bis(4-fluorophenyl)disulfane;1,1'-Disulfanediylbis(4-Fluorobenzene);4-fluorophenyldisulfide;4-fluorophenyl disulphide;di-p-Fluorophenyl sulfide;SCHEMBL223757;Bis(4-fluorophenyl) persulfide;DTXSID60193508;MFCD00816758;4,4-DIFLUORODIPHENYL DISULFIDE;AKOS037645217;AS-58628;CS-0128788;F82702

Chemical Property of Di-4-fluorophenyl sulfide

Chemical Property:

• Melting Point: 49-51 °C
• Boiling Point: 315.1°Cat760mmHg
• Flash Point: 144.4°C
• PSA: 50.60000
• Density: 1.35g/cm³
• LogP: 4.76420
• Solubility.: Soluble in methanol and acetone.
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 254.00354893
• Heavy Atom Count: 16
• Complexity: 175

Purity/Quality:

98%Min ^*data from raw suppliers

4,4'-DIFLUORODIPHENYL DISULFIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1F)SSC2=CC=C(C=C2)F
• Uses: Bis(4-fluorophenyl) disulfide is used as a pharmaceutical intermediate.

Technology Process of Di-4-fluorophenyl sulfide

There total 47 articles about Di-4-fluorophenyl sulfide 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: 100.0%

4-Fluorothiophenol (371-42-6) → bis(4-fluorophenyl)disulfide (405-31-2)

Guidance literature:

1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; In chloroform; at 20 ℃; for 0.0166667h;

DOI:10.1081/SCC-200057253

Reference yield: 96.9%

4-Fluorobenzenesulfonyl chloride (349-88-2) → bis(4-fluorophenyl)disulfide (405-31-2)

Guidance literature:

With sulfur dioxide; iron(II) sulfate; In ethanol; water; at 25 ℃; for 1.88333h;

Reference yield: 94.0%

4-fluoroboronic acid (1765-93-1) → bis(4-fluorophenyl)disulfide (405-31-2)

Guidance literature:

With CrPOM; sodium thiosulfate; In water; toluene; at 100 ℃; for 24h;

DOI:10.1039/d1gc01415c

upstream raw materials:

4-Fluorothiophenol

bis(4-fluorophenyl)sulfoxide

2-(4-fluorophenylthiomethyl)quinoline

p-fluorothioanisole

Downstream raw materials:

C₁₂H₉ClFNO₂S₂

4-Fluorothiophenol

S-(4-fluorophenyl) 4-methylbenzenesulfonothioate

5-bromo-3-((4-fluorophenyl)thio)-1H-indole

Refernces

• 1、 Guan, Zhipeng,Zhu, Shuxiang,Wang, Siyuan,Wang, Huamin,Wang, Siyuan,Zhong, Xingxing,Bu, Faxiang,Cong, Hengjiang,Lei, Aiwen. "Electrochemical Oxidative Carbon-Atom Difunctionalization: Towards Multisubstituted Imino Sulfide Ethers". . p. 1573 - 1577. Retrieved 2021.
• 2、 Ball, Liam T.,Maggi, Lorenzo,Park, Mahri,Shepherd, William,Swan, Charlie,Taylor, Sophie. "Generation of Thiyl Radicals from Air-Stable, Odorless Thiophenol Surrogates: Application to Visible-Light-Promoted C-S Cross-Coupling". . . Retrieved 2022/02/25.