1,2-Diiodotetrafluorobenzene

Base Information

• Chemical Name: 1,2-Diiodotetrafluorobenzene
• CAS No.: 2708-97-6
• Molecular Formula: C6F4I2
• Molecular Weight: 401.869
• Hs Code.: 29039990
• European Community (EC) Number: 220-303-3
• NSC Number: 21629
• UNII: NBA9AD5ZEM
• DSSTox Substance ID: DTXSID70181552
• Nikkaji Number: J192.216E
• Wikidata: Q83052179
• Mol file: 2708-97-6.mol

Synonyms:1,2-Diiodotetrafluorobenzene;2708-97-6;1,2,3,4-Tetrafluoro-5,6-diiodobenzene;1,2-Diiodo-3,4,5,6-tetrafluorobenzene;NBA9AD5ZEM;EINECS 220-303-3;NSC-21629;NSC21629;UNII-NBA9AD5ZEM;o-Diiodotetrafluorobenzene;1 2-diiodotetrafluorobenzene;SCHEMBL2190584;DTXSID70181552;1,2-Diiodotetrafluorobenzene, 99%;BBL104083;MFCD00019011;NSC 21629;STL557898;AKOS007930432;BS-22661;CS-0121272;FT-0606414;Benzene, 1,2,3,4-tetrafluoro-5,6-diiodo-;A818913;J-016672

Chemical Property of 1,2-Diiodotetrafluorobenzene

Chemical Property:

• Appearance/Colour: white to off-white powder, crystals crystalline powder and/or chunks
• Vapor Pressure: 0.089mmHg at 25°C
• Melting Point: 49-50 °C(lit.)
• Refractive Index: 1.608
• Boiling Point: 232.6 °C at 760 mmHg
• Flash Point: 93.2 °C
• PSA: 0.00000
• Density: 2.671 g/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: 150

Purity/Quality:

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

1,2,3,4-Tetrafluoro-5,6-diiodobenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1(=C(C(=C(C(=C1F)I)I)F)F)F
• Uses: 1,2,3,4-Tetrafluoro-5,6-diiodobenzene is used in perfluorinated graded index polymer optical fiber as a dopant.

Technology Process of 1,2-Diiodotetrafluorobenzene

There total 6 articles about 1,2-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: 91.0%

1,2,3,4-tetrafluorobenzene (551-62-2) → 5,6-diiodo-1,2,3,4-tetrafluorobenzene (2708-97-6)

Guidance literature:

With formic acid; sulfuric acid; periodic acid; at 70 ℃; for 4h; Schlenk technique;

DOI:10.1002/chem.202004088

Reference yield:

2-amino-3,4,5,6-tetrafluorobenzoic acid (1765-42-0) → 5,6-diiodo-1,2,3,4-tetrafluorobenzene (2708-97-6)

Guidance literature:

With n-Butyl nitrite; iodine;

DOI:10.1246/bcsj.45.642

Reference yield:

1-chloro-2,3,4,5-tetrafluorobenzene (769-37-9) → 5,6-diiodo-1,2,3,4-tetrafluorobenzene (2708-97-6)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / 280 °C / Leiten ueber Palladium/Kohle

2: fuming sulfuric acid; iodine

With sulfuric acid; hydrogen; iodine;

upstream raw materials:

1,2,3,4-tetrafluorobenzene

2-amino-3,4,5,6-tetrafluorobenzoic acid

sulfuric acid

sulfur trioxide

Downstream raw materials:

((perfluoro-1,2-phenylene)bis(ethyne-2,1-diyl))dibenzene

Phenyl(2,3,4,5-tetrafluorphenyl)ethin

1-iodo 2,3,4,5-tetrafluoro benzene

octafluorothianthrene

Refernces

• 1、 -. "Halogenation reactions". . . Retrieved 2008/06/13.
• 2、 Chambers, Richard D.,Skinner, Christopher J.,Atherton, Malcolm J.,Moilliet, John S.. "Elemental fluorine. Part 4. Use of elemental fluorine for the halogenation of aromatics". . p. 1659 - 1664. Retrieved 2007/10/03.