1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-8-iodo-2-(trifluoromethyl)octane

Base Information

• Chemical Name: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-8-iodo-2-(trifluoromethyl)octane
• CAS No.: 865-77-0
• Molecular Formula: C9F19I
• Molecular Weight: 595.973
• Hs Code.: 2903799090
• European Community (EC) Number: 212-747-1
• DSSTox Substance ID: DTXSID7061221
• Nikkaji Number: J195.132G
• Wikidata: Q81985290
• Mol file: 865-77-0.mol

Synonyms:Perfluoroisononyl iodide;865-77-0;1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-8-iodo-2-(trifluoromethyl)octane;1-Iodoperfluoro(7-methyloctane);EINECS 212-747-1;Octane, 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-iodo-2-(trifluoromethyl)-;PERFLUOROISONONYLIODIDE;SCHEMBL3929314;DTXSID7061221;MFCD00153243;AKOS015852674;CS-0459256;FT-0676304;1-Iodo-7-(trifluoromethyl)hexadecafluorooctane

Chemical Property of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-8-iodo-2-(trifluoromethyl)octane

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 1.11mmHg at 25°C
• Refractive Index: 1.32
• Boiling Point: 182.3 °C at 760 mmHg
• Flash Point: 80.4 °C
• PSA: 0.00000
• Density: 1.987 g/cm³
• LogP: 7.02360
• XLogP3: 7.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 6
• Exact Mass: 595.87413
• Heavy Atom Count: 29
• Complexity: 594

Purity/Quality:

99% ^*data from raw suppliers

PERFLUOROISONONYL IODIDE 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F

Technology Process of 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-8-iodo-2-(trifluoromethyl)octane

There total 2 articles about 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-8-iodo-2-(trifluoromethyl)octane 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:

polytetrafluoroethylene (116-14-3,82785-14-6) + perfluoroisopropyl iodide (677-69-0) → 1-iodoperfluoroisoheptane (3486-08-6) + 7-methylperfluorooctyl iodide (865-77-0) + 9-methylperfluorodecyl iodide (677-93-0)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); at 78 ℃; for 18h; Further Variations:; Temperatures; Product distribution;

DOI:10.1016/j.jfluchem.2006.01.002

Reference yield:

polytetrafluoroethylene (116-14-3,82785-14-6) + perfluoroisopropyl iodide (677-69-0) → 1-iodoperfluoroisoheptane (3486-08-6) + 7-methylperfluorooctyl iodide (865-77-0) + 1,1,1,2,3,3,4,4-octafluoro-4-iodo-2-(trifluoromethyl)butane (1514-90-5)

Guidance literature:

at 190 ℃;

DOI:10.1016/S0040-4020(01)98611-9

Reference yield: 89.0%

7-methylperfluorooctyl iodide (865-77-0) + tri-n-butyl(2-phenylallyl)stannane → [1-(2,2,3,3,4,4,5,5,6,6,7,7,8,9,9,9-hexadecafluoro-8-trifluoromethylnonyl)vinyl]benzene

Guidance literature:

With 2,2'-azobis(isobutyronitrile); In hexane; at 80 ℃; for 5h;

DOI:10.1021/ol049040o

upstream raw materials:

polytetrafluoroethylene

perfluoroisopropyl iodide

Downstream raw materials:

4-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-Hexadecafluoro-7-trifluoromethyl-octyl)-benzoic acid

2-iodo-3-(perfluoro-7-methyloctyl)propan-1-ol

4-(1,1,2,2,3,3,4,4,5,5,6,6,7,8,8,8-Hexadecafluoro-7-trifluoromethyl-octyl)-benzoyl chloride

Kalium-nonadecafluor-7-methyloctan-1-sulfonat

Refernces