4-(Difluoromethylthio)benzonitrile

Base Information

Chemical Name:4-(Difluoromethylthio)benzonitrile
CAS No.:4837-25-6
Molecular Formula:C8H5F2NS
Molecular Weight:185.197
Hs Code.:
DSSTox Substance ID:DTXSID701291396
Nikkaji Number:J3.434.466C

Synonyms:4-((Difluoromethyl)thio)benzonitrile;4-[(Difluoromethyl)thio]benzonitrile;4837-25-6;4-(Difluoromethylthio)benzonitrile;SCHEMBL11134580;KMKCSCUIOKJJKC-UHFFFAOYSA-N;DTXSID701291396

Suppliers and Price of 4-(Difluoromethylthio)benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 2 raw suppliers

Chemical Property of 4-(Difluoromethylthio)benzonitrile

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:185.01107666
Heavy Atom Count:12
Complexity:179

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C#N)SC(F)F

Technology Process of 4-(Difluoromethylthio)benzonitrile

There total 11 articles about 4-(Difluoromethylthio)benzonitrile 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: 91.0%

: 2-((difluoromethyl)thio)isoindoline-1,3-dione

: 126747-14-6
4-cyanophenylboronic acid

: 4837-25-6
4-[(difluoromethyl)thio]benzonitrile

Guidance literature:: With [2,2]bipyridinyl; copper(l) iodide; lithium carbonate; In diethylene glycol dimethyl ether; at 60 ℃; for 15h; Schlenk technique; Inert atmosphere;
DOI:10.1021/jacs.5b03170

Reference yield: 90.0%

: 36801-01-1
4-cyanobenzenethiol

: (difluoromethyl)triphenylphosphonium trifluoromethanesulfonate

: 4837-25-6
4-[(difluoromethyl)thio]benzonitrile

Guidance literature:: With N,N,N,N,-tetramethylethylenediamine; tris[2-phenylpyridinato-C²,N]iridium(III); In acetonitrile; at 20 ℃; for 48h; Schlenk technique; Sealed tube; Inert atmosphere; Irradiation;
DOI:10.1021/acs.joc.7b01041

Reference yield: 81.0%

: 3058-39-7
4-iodobenzonitrile

: 4837-25-6
4-[(difluoromethyl)thio]benzonitrile

Guidance literature:: With bis[2-(diphenylphosphino)phenyl] ether; bis(dibenzylideneacetone)-palladium⁽⁰⁾; In toluene; at 50 ℃; for 12h;
DOI:10.1039/c6sc00082g