4-Methyl-2,3,5,6-tetrafluorobenzonitrile

Base Information

• Chemical Name: 4-Methyl-2,3,5,6-tetrafluorobenzonitrile
• CAS No.: 76437-39-3
• Molecular Formula: C8H3F4N
• Molecular Weight: 189.112
• DSSTox Substance ID: DTXSID10472653
• Wikidata: Q82301680

Synonyms:76437-39-3;2,3,5,6-tetrafluoro-4-methylbenzonitrile;4-methyl-2,3,5,6-tetrafluorobenzonitrile;Benzonitrile, 2,3,5,6-tetrafluoro-4-methyl-;starbld0013946;SCHEMBL1808331;DTXSID10472653;NUSQQHOHSBCDQX-UHFFFAOYSA-N;4-cyano-2,3,5,6-tetrafluorotoluene

Chemical Property of 4-Methyl-2,3,5,6-tetrafluorobenzonitrile

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 189.02016175
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1F)F)C#N)F)F

Technology Process of 4-Methyl-2,3,5,6-tetrafluorobenzonitrile

There total 5 articles about 4-Methyl-2,3,5,6-tetrafluorobenzonitrile 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: 60.0%

2,3,5,6-tetrafluoro-4-(nitromethyl)benzonitrile (1413926-57-4) → 4-methyl-2,3,5,6-tetrafluorobenzonitrile (76437-39-3)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride; In benzene; for 2h; Reflux;

DOI:10.1016/j.jfluchem.2012.09.004

Reference yield:

2,3,5,6-tetrafluoro-4-toluamide (928267-10-1) → 4-methyl-2,3,5,6-tetrafluorobenzonitrile (76437-39-3)

Guidance literature:

With hydrogenchloride; trichlorophosphate; In pyridine; dichloromethane;

Reference yield:

aqueous brine + Pentafluorobenzonitrile (773-82-0) + methylmagnesium chloride (676-58-4) → methylene bis(2,3,5,6-tetrafluorobenzonitrile) (121601-48-7) + 4-methyl-2,3,5,6-tetrafluorobenzonitrile (76437-39-3)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; 1,2-dimethoxyethane; diphenylether; dichloromethane; water;

upstream raw materials:

tetrafluoroterephthalonitrile

methylmagnesium bromide

Pentafluorobenzonitrile

methylmagnesium chloride

Downstream raw materials:

4-(bromomethyl)-2,3,5,6-tetrafluorobenzonitrile

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