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

Base Information

• Chemical Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane
• CAS No.: 2043-57-4
• Deprecated CAS: 188639-80-7
• Molecular Formula: C8H4F13I
• Molecular Weight: 474.003
• Hs Code.: 29037790
• European Community (EC) Number: 218-056-1
• UNII: 5GDR0T29RK
• DSSTox Substance ID: DTXSID2047565
• Nikkaji Number: J28.293F
• Wikidata: Q72510549
• ChEMBL ID: CHEMBL3185793
• Mol file: 2043-57-4.mol

Synonyms:2043-57-4;1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane;1H,1H,2H,2H-Perfluorooctyl iodide;Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodo-;1-Iodo-1H,1H,2H,2H-perfluorooctane;C8H4F13I;1,1,2,2-Tetrahydroperfluorooctyliodide;5GDR0T29RK;1,1,2,2-Tetrahydroperfluorooctyl iodide;DTXSID2047565;1-Iodo-2-(perfluorohexyl)ethane;1h,1h,2h,2h-perfluorooctyliodide;EINECS 218-056-1;MFCD00039410;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctane;1H,1H,2H,2H-Tridecafluoro-n-octyl Iodide;EC 218-056-1;2-(Perfluorohexyl)ethyl iodide;perfluorohexylethyl iodide;UNII-5GDR0T29RK;C6F13CH2CH2I;2-Perfluorohexyl ethyl iodide;(Perfluorohexyl) Ethyl Iodide;SCHEMBL422532;CHEMBL3185793;DTXCID0027565;C8 Gamma-Omega Perfluoro Iodine;3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl iodide;C8-H4-F13-I;Tox21_300609;AKOS005063730;CS-W009628;FS-4522;1H,1H,2H,2H-Perfluoro-n-octyl Iodide;NCGC00248104-01;NCGC00254312-01;SY049496;1-iodo-1h,1h,2h,2h-perfluorooct-1-ane;1-Iodo-1H,1H,2H,2H-tridecafluorooctane;1H,1H,2H,2H-Perfluoro-1-iodo-n-octane;CAS-2043-57-4;1H,1H,2H,2H-Perfluorooctyl iodide, 96%;FT-0607943;T2074;1H,1H,2H,2H-Tridecafluoro-1-iodo-n-octane;D92577;1-Iodine-1H, 1H, 2H, 2H-perfluorooctane, 97%;1,1,1,2,2,3,3,4,4,5,5,6,6 tridecafluor-8-iod-octane

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

Chemical Property:

• Appearance/Colour: Gold liquid.
• Vapor Pressure: 1.29mmHg at 25°C
• Melting Point: 21 °C
• Refractive Index: n20/D 1.359(lit.)
• Boiling Point: 179.2 °C at 760 mmHg
• Flash Point: 80.6 °C
• PSA: 0.00000
• Density: 1.892 g/cm³
• LogP: 5.55030
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Light Sensitive
• Solubility.: Chloroform (Soluble), Methanol (Slightly)
• Water Solubility.: insoluble
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 473.91501
• Heavy Atom Count: 22
• Complexity: 395

Purity/Quality:

99% ^*data from raw suppliers

1H,1H,2H,2H-Tridecafluoro-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(CI)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Uses: Perfluorohexylethyl Iodide, is a Polyfluorinated iodine alkanes (PFIs), which are important intermediates in the synthesis of organic fluoride products. It has also been shown to have potential estrogenic effects.

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

There total 11 articles about 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane 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: 95.0%

ethene (74-85-1) + n-perfluorohexyl iodide (355-43-1) → 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane (2043-57-4,71215-70-8)

Guidance literature:

With disodium hydrogenphosphate; sodium dithionite; In acetonitrile; at 40 - 45 ℃; for 3h;

DOI:10.1016/S0022-1139(01)00495-X

Reference yield: 88.0%

1H,1H,2H,2H-tridecafluoro-n-octanol (647-42-7) → 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane (2043-57-4,71215-70-8)

Guidance literature:

With phosphoric acid; phosphorus pentoxide; potassium iodide; at 120 ℃; for 4h;

DOI:10.1016/S0040-4039(02)02539-X

Reference yield: 30.0%

n-perfluorohexyl iodide (355-43-1) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane (355-37-3) + perfluorododecane (307-59-5) + 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane (2043-57-4,71215-70-8)

Guidance literature:

With copper; zinc; 1,1-dibromomethane; In dimethyl sulfoxide; at 20 ℃;

DOI:10.1016/S0022-1139(00)82214-9

upstream raw materials:

ethene

n-perfluorohexyl iodide

1,1-dibromomethane

1H,1H,2H,2H-tridecafluoro-n-octanol

Downstream raw materials:

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene

1H,1H,2H,2H-tridecafluoro-n-octanol

1-(1-pyrrolin-2-yl)-2-pyrrolidinone

perfluorobutylethyl acrylate

Refernces

• 1、 Badache, Leila,Boschet, Frédéric,Lehanine, Zineb,Boutevin, Bernard,Ameduri, Bruno. "Synthesis and surface properties of a series of surfactants based on O-alkyl and O-perfluoro-N,N′-diisopropylisoureas". . p. 382 - 388. Retrieved 2011.
• 2、 Cai, Aijie,Liu, Wei,Wang, Chao,Yan, Wenhao. "Copper-Catalyzed Difluoromethylation of Alkyl Iodides Enabled by Aryl Radical Activation of Carbon–Iodine Bonds". supporting information. p. 27070 - 27077. Retrieved 2021/11/18.
• 3、 Yake, Allison,Corder, Tanya,Moloy, Kenneth,Coope, Tim,Taylor, Charles,Hung, Ming,Peng, Sheng. "Fluorinated pyridinium and ammonium cationic surfactants". . p. 46 - 55. Retrieved 2016/07/06.