1,6-Diiodoperfluorohexane

Base Information

• Chemical Name: 1,6-Diiodoperfluorohexane
• CAS No.: 375-80-4
• Molecular Formula: C6F12I2
• Molecular Weight: 553.856
• Hs Code.: 29037800
• European Community (EC) Number: 206-794-7
• UNII: T7E2MA3AD2
• DSSTox Substance ID: DTXSID90190949
• Nikkaji Number: J213.579E
• Wikidata: Q72467176
• Mol file: 375-80-4.mol

Synonyms:1,6-Diiodoperfluorohexane;375-80-4;1,6-diiodododecafluorohexane;1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane;Dodecafluoro-1,6-diiodohexane;C6F12I2;1,6-Diiododecafluorohexane;Hexane, 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodo-;T7E2MA3AD2;EINECS 206-794-7;Perfluoro-1,6-diiodohexane;UNII-T7E2MA3AD2;SCHEMBL51180;DTXSID90190949;1,6-Diiodoperfluorohexane, 96%;C6-F12-I2;MFCD00042264;AKOS015853706;METHYL4-(3-PYRIDINYL)BENZOATE;D2333;FT-0607005;D83410

Chemical Property of 1,6-Diiodoperfluorohexane

Chemical Property:

• Vapor Pressure: 1.333-1013.25hPa at 25-180℃
• Melting Point: 25-30 °C(lit.)
• Refractive Index: 1.398
• Boiling Point: 185.4 °C at 760 mmHg
• Flash Point: 77.9 °C
• PSA: 0.00000
• Density: 2.398g/cm³
• LogP: 5.58320
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Light Sensitive
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 5
• Exact Mass: 553.78978
• Heavy Atom Count: 20
• Complexity: 338

Purity/Quality:

98%, ^*data from raw suppliers

1,6-Diiodoperfluorohexane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): TXi
• Hazard Codes: T,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(C(C(F)(F)I)(F)F)(F)F)(C(C(F)(F)I)(F)F)(F)F
• Uses: It is employed in the synthesis and characterization of fluorinated telomers containing vinylidene fluoride and hexafluoropropene.

Technology Process of 1,6-Diiodoperfluorohexane

There total 20 articles about 1,6-Diiodoperfluorohexane 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: 54.0%

C6F12O4S2(2-)*2Na(1+) → dodecafluoro-1,6-diiodohexane (375-80-4)

Guidance literature:

With sodium persulfate; iodine; In water; dimethyl sulfoxide; at 20 ℃; for 1h;

DOI:10.1016/j.jfluchem.2007.04.018

Reference yield: 43.7%

polytetrafluoroethylene (116-14-3,82785-14-6) → 1,2-diiodotetrafluoroethane (354-65-4) + 1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane (375-50-8) + dodecafluoro-1,6-diiodohexane (375-80-4) + 1,8-diiodoperfluorooctane (335-70-6)

Guidance literature:

With iodine; at 285 ℃; for 8h; Product distribution; var. TFE/iodine mol ratio;

DOI:10.1016/S0022-1139(00)81552-3

Reference yield: 37.3%

polytetrafluoroethylene (116-14-3,82785-14-6) → 1,2-diiodotetrafluoroethane (354-65-4) + 1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane (375-50-8) + dodecafluoro-1,6-diiodohexane (375-80-4)

Guidance literature:

With iodine; at 260 ℃; for 10h; Product distribution; other temp., time;

upstream raw materials:

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctanedioyl dichloride

polytetrafluoroethylene

1,1,2,2,3,3,4,4-octafluoro-1,4-diiodobutane

Vinylidene fluoride

Downstream raw materials:

1,10-diiodo-3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodecane

6H-perfluoro-1-iodohexane

di(benzothiazol-2-yl)disulfide

2-(1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-iodo-hexylsulfanyl)-benzothiazole

Refernces

The disorder of perfluoroalkyl chains in crystals: Two case histories of interpretation and refinement

10.1016/j.jfluchem.2009.06.018

The research focuses on the disorder of perfluoroalkyl chains in crystals and their impact on the structural characteristics of materials, which is crucial for tuning the functional properties of materials with perfluoroalkyl residues. The study utilizes single crystal X-ray analyses to determine the structural details of these chains, with a particular emphasis on the challenges in modeling disorder in perfluoroalkyl residues in crystals. The experiments involve the self-assembly of N,N,N',N'-tetramethyl-1,4-phenylendiamine (TMPDA) with 1,4-diiodoperfluorobutane (PFDIB) or 1,6-diiodoperfluorohexane (PFDIH) to form co-crystals 3a and 3b, respectively. These co-crystals were analyzed using various techniques including 1H/19F NMR, IR spectroscopy, and thermal analysis. The X-ray crystal structure determination was performed using a Bruker SMART APEX diffractometer, and the structures were solved by SIR2002 and refined on F2 by SHELX-97. The research also discusses the refinement of perfluoroalkyl chains in single crystal structural studies, highlighting the importance of accurate modeling to obtain consistent and scientifically valuable data.