5-Nitro-2-(2,2,2-trifluoroethoxy)benzonitrile

Base Information

Chemical Name:5-Nitro-2-(2,2,2-trifluoroethoxy)benzonitrile
CAS No.:84328-69-8
Molecular Formula:C9H5F3N2O3
Molecular Weight:246.146
Hs Code.:
DSSTox Substance ID:DTXSID70514826
Wikidata:Q82375369

Synonyms:5-nitro-2-(2,2,2-trifluoroethoxy)benzonitrile;84328-69-8;SCHEMBL6052096;DTXSID70514826;MFCD10000944;AKOS017556632

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

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Chemical Property of 5-Nitro-2-(2,2,2-trifluoroethoxy)benzonitrile

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:246.02522651
Heavy Atom Count:17
Complexity:331

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1[N+](=O)[O-])C#N)OCC(F)(F)F

Technology Process of 5-Nitro-2-(2,2,2-trifluoroethoxy)benzonitrile

There total 4 articles about 5-Nitro-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: 98.0%

: 75-89-8
2,2,2-trifluoroethanol

: 16588-02-6
4-chloro-3-cyanonitrobenzene

: 84328-69-8
5-nitro-2-(2,2,2-trifluoroethoxy)benzonitrile

Guidance literature:: With sodium hydride; In N,N,N,N,N,N-hexamethylphosphoric triamide; hexane; at 90 - 150 ℃;

Reference yield: 98.0%

: 16588-02-6
4-chloro-3-cyanonitrobenzene

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

: 84328-69-8
5-nitro-2-(2,2,2-trifluoroethoxy)benzonitrile

Guidance literature:: In N,N,N,N,N,N-hexamethylphosphoric triamide; at 90 ℃; for 15h;
DOI:10.1021/jo00169a033

Reference yield:

: 16588-15-1
2-chloro-5-nitro-benzamide

: 84328-69-8
5-nitro-2-(2,2,2-trifluoroethoxy)benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: benzenesulfonyl chloride / DMF (N,N-dimethyl-formamide); toluene / 3 h / 20 - 145 °C

2: sodium hydride / DMF (N,N-dimethyl-formamide) / 1 h / Ice cooling

With sodium hydride; benzenesulfonyl chloride; In DMF (N,N-dimethyl-formamide); toluene;