1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodododecane

Base Information

• Chemical Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodododecane
• CAS No.: 120695-82-1
• Molecular Formula: C₁₂H₁₂F₁₃I
• Molecular Weight: 530.111
• Hs Code.: 2903798000
• DSSTox Substance ID: DTXSID80382179
• Nikkaji Number: J619.171A
• Mol file: 120695-82-1.mol

Synonyms:120695-82-1;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodododecane;2-Iodo-1-(perfluorohexyl)hexane;7,7,8,8,9,9,10,10,11,11,12,12,12-Tridecafluoro-5-iodododecane;Dodecane,1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-;NOMIFENSINEMALEATE;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-dodecane;SCHEMBL9854263;DTXSID80382179;MFCD01075292;AKOS016015412;A804562

Chemical Property of 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodododecane

Chemical Property:

• Vapor Pressure: 0.0151mmHg at 25°C
• Refractive Index: 1.374
• Boiling Point: 265.3°Cat760mmHg
• Flash Point: 120.8°C
• PSA: 0.00000
• Density: 1.672g/cm³
• LogP: 7.10910
• Sensitive.: Light Sensitive
• XLogP3: 8.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 529.97761
• Heavy Atom Count: 26
• Complexity: 468

Purity/Quality:

97% ^*data from raw suppliers

1,1,1,2,2,3,3,4,4,5,5,6,6-TRIDECAFLUORO-8-IODODECANE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodododecane

There total 1 articles about 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodododecane 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: 97.0%

1-hexene (592-41-6,25067-06-5) + n-perfluorohexyl iodide (355-43-1) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodododecane (120695-82-1)

Guidance literature:

With 2,6-dimethylpyridine; bismuth(III) oxide; In decane; acetone; at 75 ℃; for 0.333333h; under 3750.38 Torr; chemoselective reaction; Irradiation; Sealed tube; Inert atmosphere; Flow reactor; Green chemistry;

DOI:10.1039/d0gc03070h

Reference yield:

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodododecane (120695-82-1) → 1-(n-perfluorohexyl)-hexane (69125-80-0)

Guidance literature:

With acetic acid; zinc; In 1,2-dimethoxyethane; ethanol; at 75 ℃; for 5h; Yield given;

DOI:10.1016/0022-1139(94)03102-6

upstream raw materials:

1-hexene

n-perfluorohexyl iodide

Downstream raw materials:

1-(n-perfluorohexyl)-hexane