3,4,6-Trifluorophthalonitrile

Base Information

Chemical Name:3,4,6-Trifluorophthalonitrile
CAS No.:69173-87-1
Molecular Formula:C8HF3N2
Molecular Weight:182.105
Hs Code.:
DSSTox Substance ID:DTXSID70430754
Nikkaji Number:J211.556E
Wikidata:Q82244452
Mol file:69173-87-1.mol

Synonyms:3,4,6-trifluorophthalonitrile;69173-87-1;SCHEMBL7868318;DTXSID70430754

Suppliers and Price of 3,4,6-Trifluorophthalonitrile

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 4 raw suppliers

Chemical Property of 3,4,6-Trifluorophthalonitrile

Chemical Property:

PSA：47.58000
LogP:1.84726
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:182.00918253
Heavy Atom Count:13
Complexity:286

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C(=C(C(=C1F)F)C#N)C#N)F

Technology Process of 3,4,6-Trifluorophthalonitrile

There total 3 articles about 3,4,6-Trifluorophthalonitrile 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: 88.0%

: 1835-65-0
Tetrafluorophthalonitrile

: 69173-87-1
3,4,6-trifluorophthalonitrile

Guidance literature:: With (1,2,3,4,5-pentamethylcyclopentadienyl)IrCl[κ²(N,C)-{NHC(CH₃)₂-2-C₆H₄}]; potassium formate; In 1,2-dimethoxyethane; water; at 30 ℃; for 1h;
DOI:10.1021/acscatal.6b01590

Reference yield: 83.0%

: 1835-65-0
Tetrafluorophthalonitrile

: 3,6-difluorophthalonitrile

: 69173-87-1
3,4,6-trifluorophthalonitrile

: 3,4,5-trifluorophthalonitrile

Guidance literature:: With tetrabutylammonium triphenyldifluorosilicate; HSiPh₃; In tetrahydrofuran; benzene-d6; at 20 ℃; for 4h; Inert atmosphere; Sealed tube;
DOI:10.1002/anie.201708003

Reference yield:

: 1835-65-0
Tetrafluorophthalonitrile

: 3,6-difluorophthalonitrile

: 69173-87-1
3,4,6-trifluorophthalonitrile

Guidance literature:: With phenylsilane; 2-H-1,3-di-tert-butyl-2,3-dihydro-1H-1,3,2-diazaphosphole; In acetonitrile; at 100 ℃; for 3h; Inert atmosphere; Schlenk technique;
DOI:10.1021/acs.joc.1c02360