2-Iodo-1-(perfluorohexyl)octane

Base Information

• Chemical Name: 2-Iodo-1-(perfluorohexyl)octane
• CAS No.: 109574-84-7
• Molecular Formula: C14H16F13I
• Molecular Weight: 558.16100
• Hs Code.: 2903798000
• European Community (EC) Number: 641-169-6
• DSSTox Substance ID: DTXSID80546557
• Nikkaji Number: J619.172J
• Mol file: 109574-84-7.mol

Synonyms:2-Iodo-1-(perfluorohexyl)octane;109574-84-7;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradecane;2-Iodo-1-(perfluorohex-1-yl)octane;8-Iodo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane;SCHEMBL9854347;DTXSID80546557;GVWXUPPPAHSALU-UHFFFAOYSA-N;AKOS025310232;BS-26638;NS00018738

Chemical Property of 2-Iodo-1-(perfluorohexyl)octane

Chemical Property:

• Boiling Point: 302.4±10.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.595±0.06 g/cm3(Predicted)
• LogP: 7.88930
• XLogP3: 9.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 11
• Exact Mass: 558.00891
• Heavy Atom Count: 28
• Complexity: 498

Purity/Quality:

97% ^*data from raw suppliers

2-Iodo-1-(perfluorohexyl)octane 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Iodo-1-(perfluorohexyl)octane

There total 3 articles about 2-Iodo-1-(perfluorohexyl)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: 97.3%

oct-1-ene (111-66-0,25068-25-1) + n-perfluorohexyl iodide (355-43-1) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradecane (109574-84-7)

Guidance literature:

With sodiumsulfide nonahydrate; dibenzoyl peroxide; at 90 ℃; for 3h;

Reference yield: 63.0%

oct-1-ene (111-66-0,25068-25-1) + tetradecafluorohexane (355-42-0) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradecane (109574-84-7)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); at 100 ℃; for 72h;

Reference yield:

oct-1-ene (111-66-0,25068-25-1) + n-perfluorohexyl iodide (355-43-1) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradecane (109574-84-7) + 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane (133331-77-8)

Guidance literature:

With tris(bipyridine)ruthenium(II) dichloride hexahydrate; diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; In N,N-dimethyl-formamide; for 12h; Overall yield = 56 %; Irradiation;

upstream raw materials:

oct-1-ene

n-perfluorohexyl iodide

tetradecafluorohexane

Downstream raw materials:

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane