Perfluorooctyl iodide

Base Information

• Chemical Name: Perfluorooctyl iodide
• CAS No.: 507-63-1
• Molecular Formula: C8F17I
• Molecular Weight: 545.965
• Hs Code.: 29037800
• European Community (EC) Number: 208-079-5
• UNII: 072985Y799
• DSSTox Substance ID: DTXSID0060147
• Nikkaji Number: J97.538I
• Wikidata: Q27236245
• Mol file: 507-63-1.mol

Synonyms:AF0144;Imagent BP;Imagent GI;L 1913;L-1913;LA 11063;LA11063;Oxygent;perflubron;perflubron emulsion;perfluoroctylbromide;perfluorooctyl bromide;perfluorooctyl iodide;perfluorooctylbromide;perfluorooctyliodide;PFOB

Chemical Property of Perfluorooctyl iodide

Chemical Property:

• Appearance/Colour: Pink solid
• Vapor Pressure: 3.08mmHg at 25°C
• Melting Point: 25 °C
• Refractive Index: n20/D 1.329(lit.)
• Boiling Point: 160.574 °C at 760 mmHg
• Flash Point: 68.628 °C
• PSA: 0.00000
• Density: 2.004 g/cm³
• LogP: 6.38830
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Sensitive.: Light Sensitive
• Solubility.: Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 6
• Exact Mass: 545.87733
• Heavy Atom Count: 26
• Complexity: 527

Purity/Quality:

99% ^*data from raw suppliers

Heptadecafluoro-n-octyl Iodide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Uses: Perfluorooctyl Iodide is a perfluoroalkyl iodide used in organocatalysis via substrate activation by halogen bonding. Perfluorooctyl Iodide is a potential candidate substitute for banned Halon fire extinguishers. Heptadecafluoro-1-iodooctane has been used as monodentate donor to investigate anion receptor complexes of mono-, bi- and tridentate donors with a variety of anions in the gas phase using both experimental and theoretical approaches.

Technology Process of Perfluorooctyl iodide

There total 22 articles about Perfluorooctyl iodide 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: 44.5%

polytetrafluoroethylene (116-14-3,82785-14-6) + Pentafluoroethyl iodide (354-64-3) → 1-iodoheptadecafluorooctane (507-63-1) + 1-iodoperfluorododecane (307-60-8) + n-perfluorohexyl iodide (355-43-1) + 1-Iodo-perfluorodecane (423-62-1)

Guidance literature:

at 100 ℃; Further byproducts given;

DOI:10.1016/S0022-1139(98)00112-2

Reference yield: 34.6%

polytetrafluoroethylene (116-14-3,82785-14-6) + Pentafluoroethyl iodide (354-64-3) → 1-iodoheptadecafluorooctane (507-63-1) + 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane (423-39-2) + n-perfluorohexyl iodide (355-43-1) + 1-Iodo-perfluorodecane (423-62-1)

Guidance literature:

at 100 ℃; for 5.13333h; Further byproducts given; Irradiation;

DOI:10.1016/S0022-1139(98)00112-2

Reference yield:

perfluorooctyl sulfofluorure (307-35-7) → 1-iodoheptadecafluorooctane (507-63-1)

Guidance literature:

perfluorooctyl sulfofluorure; With sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃; for 2h;

With sulfuryl dichloride; In tetrahydrofuran; at 20 ℃; for 0.5h;

With potassium iodide; In tetrahydrofuran; water; at 80 ℃; for 2h; Reflux;

upstream raw materials:

polytetrafluoroethylene

Pentafluoroethyl iodide

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

n-perfluorohexyl iodide

Downstream raw materials:

PhSeC₈F₁₉

3-Heptadecafluorooctyl-2-phenylselanyl-tetrahydro-pyran

perfluorocetane

perfluorononanoic acid

Refernces

• 1、 -. "PROCESS FOR PRODUCING FLUOROALKYL IODIDE TELOMER". Page/Page column 3-4. . Retrieved 2011/02/25.
• 2、 -. "Fluoroalkyl iodide and its production process". Page/Page column 5-6. . Retrieved 2008/06/13.