4-(Pentafluoroethyl)benzonitrile

Base Information

Chemical Name:4-(Pentafluoroethyl)benzonitrile
CAS No.:128273-61-0
Molecular Formula:C9H4F5N
Molecular Weight:221.129
Hs Code.:
DSSTox Substance ID:DTXSID60563888
Nikkaji Number:J3.633.598J
Wikidata:Q82448389

Synonyms:4-(Pentafluoroethyl)benzonitrile;128273-61-0;4-(1,1,2,2,2-PENTAFLUOROETHYL)BENZONITRILE;4-pentafluoroethylbenzonitrile;4-(Perfluoroethyl)benzonitrile;4-pentafluoroethyl-benzonitrile;SCHEMBL2853329;DTXSID60563888;MFCD19439995;AKOS016016000;CS-0324611

Suppliers and Price of 4-(Pentafluoroethyl)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-(Pentafluoroethyl)benzonitrile

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:221.02638994
Heavy Atom Count:15
Complexity:266

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-(Pentafluoroethyl)benzonitrile

There total 11 articles about 4-(Pentafluoroethyl)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: 92.0%

: 60007-39-8
pentafluoroethylcopper(I)

: 3058-39-7
4-iodobenzonitrile

: 128273-61-0
4-(1,1,2,2,2-pentafluoroethyl)benzonitrile

Guidance literature:: at 23 ℃; for 24h;

Reference yield: 84.0%

: 623-00-7
4-bromobenzenecarbonitrile

: 124898-13-1
trimethyl(pentafluoroethyl)silane

: 128273-61-0
4-(1,1,2,2,2-pentafluoroethyl)benzonitrile

Guidance literature:: With 4,4'-dimethyl-2,2'-bipyridines; bis(2-phenylpyridinato)(2,2'-bipyridine)iridium(III) hexafluorophosphate; sodium acetate; N-(adamantan-1-yl)-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilan-2-amine; copper(I) bromide; In acetonitrile; for 16h; Reagent/catalyst; Irradiation;
DOI:10.1021/jacs.0c09977

Reference yield: 62.0%

: 3058-39-7
4-iodobenzonitrile

: potassium (pentafluoroethyl)trimethoxyborate

: 128273-61-0
4-(1,1,2,2,2-pentafluoroethyl)benzonitrile

Guidance literature:: With copper(l) iodide; 1,10-Phenanthroline; In tetrahydrofuran; at 60 ℃; for 24h; Inert atmosphere; Schlenk technique;
DOI:10.1055/s-0036-1588131