[3-(Trifluoromethyl)phenyl]propanedinitrile

Base Information

Chemical Name:[3-(Trifluoromethyl)phenyl]propanedinitrile
CAS No.:99726-60-0
Molecular Formula:C10H5F3N2
Molecular Weight:210.158
Hs Code.:
DSSTox Substance ID:DTXSID80581281
Nikkaji Number:J1.051.376F
Wikidata:Q82472353

Synonyms:99726-60-0;[3-(Trifluoromethyl)phenyl]propanedinitrile;DTXSID80581281

Suppliers and Price of [3-(Trifluoromethyl)phenyl]propanedinitrile

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 1 raw suppliers

Chemical Property of [3-(Trifluoromethyl)phenyl]propanedinitrile

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:210.04048265
Heavy Atom Count:15
Complexity:301

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(=C1)C(F)(F)F)C(C#N)C#N

Technology Process of [3-(Trifluoromethyl)phenyl]propanedinitrile

There total 4 articles about [3-(Trifluoromethyl)phenyl]propanedinitrile 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: 83.0%

: 401-78-5
3-bromo-1-trifluoromethylbenzene

: 109-77-3
malononitrile

: 99726-60-0
2-(3-(trifluoromethyl)phenyl)malononitrile

Guidance literature:: malononitrile; With sodium t-butanolate; In xylene; at 20 ℃; for 1h;

3-bromo-1-trifluoromethylbenzene; With tricyclohexylphosphine; palladium dichloride; In xylene; for 3.5h; Further stages.; Heating;
DOI:10.1055/s-2006-944215

Reference yield: 66.0%

: 401-81-0
m-trifluoromethylphenyl iodide

: 109-77-3
malononitrile

: 99726-60-0
2-(3-(trifluoromethyl)phenyl)malononitrile

Guidance literature:: With copper(l) iodide; potassium carbonate; L-proline; In dimethyl sulfoxide; at 90 ℃; for 18h;
DOI:10.1021/jacs.1c05281