2-(2,2,2-Trifluoroethoxy)benzonitrile

Base Information

Chemical Name:2-(2,2,2-Trifluoroethoxy)benzonitrile
CAS No.:56935-77-4
Molecular Formula:C9H6F3NO
Molecular Weight:201.14500
Hs Code.:2926909090
DSSTox Substance ID:DTXSID50514824
Wikidata:Q82375367
Mol file:56935-77-4.mol

Synonyms:2-(2,2,2-trifluoroethoxy)benzonitrile;56935-77-4;SCHEMBL4911171;DTXSID50514824;MFCD09859324;AKOS000167912;BS-29258;2-(2,2,2-trifluoro-ethoxy)-benzonitrile;CS-0453674;EN300-231986

Suppliers and Price of 2-(2,2,2-Trifluoroethoxy)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

SynQuest Laboratories
2-(2,2,2-Trifluoroethoxy)benzonitrile
1 g
$ 269.00

SynQuest Laboratories
2-(2,2,2-Trifluoroethoxy)benzonitrile
5 g
$ 797.00

American Custom Chemicals Corporation
2-(2,2,2-TRIFLUOROETHOXY)BENZONITRILE 95.00%
5MG
$ 495.39

Total 4 raw suppliers

Chemical Property of 2-(2,2,2-Trifluoroethoxy)benzonitrile

Chemical Property:

PSA：33.02000
LogP:2.49938
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:201.04014830
Heavy Atom Count:14
Complexity:230

Purity/Quality:

99% ^*data from raw suppliers

2-(2,2,2-Trifluoroethoxy)benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-(2,2,2-Trifluoroethoxy)benzonitrile

There total 4 articles about 2-(2,2,2-Trifluoroethoxy)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: 95.0%

: 873-32-5
2-Chlorobenzonitrile

: 420-87-1
sodium 2,2,2-trifluoroethanolate

: 56935-77-4
ortho-2,2,2-trifluoroethoxy benzonitrile

Guidance literature:: In N,N,N,N,N,N-hexamethylphosphoric triamide; at 150 ℃; for 15h; Product distribution; var. activated benzenes, chloroheterocyclics; var. times, temperatures, solvents;
DOI:10.1021/jo00169a033

Reference yield: 89.0%

: 2042-37-7
o-cyanobromobenzene

: [(1,10-phenanthroline)₂Cu][OCH₂CF₃]

: 56935-77-4
ortho-2,2,2-trifluoroethoxy benzonitrile

Guidance literature:: With sodium t-butanolate; In N,N-dimethyl-formamide; at 80 ℃; for 12h; Sealed tube; Inert atmosphere;
DOI:10.1002/anie.201501257