1,3-Diiodotetrafluorobenzene

Base Information

• Chemical Name: 1,3-Diiodotetrafluorobenzene
• CAS No.: 67815-57-0
• Molecular Formula: C6F4I2
• Molecular Weight: 401.869
• Hs Code.: 2903999090
• European Community (EC) Number: 812-780-7
• Nikkaji Number: J1.644.781A
• Mol file: 67815-57-0.mol

Synonyms:1,3-Diiodotetrafluorobenzene;67815-57-0;1,2,3,5-TETRAFLUORO-4,6-DIIODOBENZENE;SCHEMBL9775429;1,3-Diiodotetrafluorobenzene, 97%;MFCD16620566;AKOS007930467;MS-20262

Chemical Property of 1,3-Diiodotetrafluorobenzene

Chemical Property:

• Vapor Pressure: 0.0246mmHg at 25°C
• Boiling Point: 256.5oC at 760 mmHg
• Flash Point: 103.6oC
• PSA: 0.00000
• Density: 2.671g/cm3
• LogP: 3.45220
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 401.80256
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

97% ^*data from raw suppliers

1,3-Diiodotetrafluorobenzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)I)F)I)F)F

Technology Process of 1,3-Diiodotetrafluorobenzene

There total 3 articles about 1,3-Diiodotetrafluorobenzene 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%

1,2,3,5-tetrafluorobenzene (2367-82-0) → 1,3-Diiodo-2,4,5,6-tetrafluorobenzene (67815-57-0)

Guidance literature:

With iodine; lithium tert-butoxide; In N,N-dimethyl-formamide; at 60 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jo9015369

Reference yield: 61.0%

conc. H2 SO4 + 1,2,3,5-tetrafluorobenzene (2367-82-0) → 1,3-Diiodo-2,4,5,6-tetrafluorobenzene (67815-57-0)

Guidance literature:

In Ki; diethyl ether; hexane;

Reference yield: 3.0%

1,2,3,5-tetrafluorobenzene (2367-82-0) → 1,2,3,5-tetrafluoro-4-iodobenzene (13332-15-5) + 1,3-Diiodo-2,4,5,6-tetrafluorobenzene (67815-57-0)

Guidance literature:

With trifluorormethanesulfonic acid; antimony pentafluoride; sodium iodide; thallium(III) trifluoroacetate; Yield given. Multistep reaction; 2.) 80 deg C, 3 h;

upstream raw materials:

1,2,3,5-tetrafluorobenzene

Refernces

• 1、 -. "Diethynyl monomers and polymers thereof". . . Retrieved 2008/06/13.
• 2、 Deacon, Glen B.,Smith, Richard N.M.. "Organothallium Compounds. XVIII The Effect of Antimony Pentafluoride and Fluorosulfuric Acid on the Thallation of Polyfluoroarenes". . p. 1587 - 1597. Retrieved 2007/10/02.