6-Iodo-1,1,1,2,2-pentafluorohexane

Base Information

• Chemical Name: 6-Iodo-1,1,1,2,2-pentafluorohexane
• CAS No.: 344452-10-4
• Molecular Formula: C₆H₈F₅I
• Molecular Weight: 302.026
• Hs Code.: 2903779090
• European Community (EC) Number: 823-207-5
• DSSTox Substance ID: DTXSID10475886
• Wikidata: Q82306706
• Mol file: 344452-10-4.mol

Synonyms:6-IODO-1,1,1,2,2-PENTAFLUOROHEXANE;344452-10-4;1,1,1,2,2-pentafluoro-6-iodohexane;SCHEMBL2636314;DTXSID10475886;MFCD06247809;AKOS015853768;1-iodo-5,5,6,6,6-pentafluorohexane;CS-0451297;J-019611

Chemical Property of 6-Iodo-1,1,1,2,2-pentafluorohexane

Chemical Property:

• Boiling Point: 62-64℃ (15 Torr)
• PSA: 0.00000
• Density: 1.738±0.06 g/cm3(Predicted)
• LogP: 3.78930
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 301.95909
• Heavy Atom Count: 12
• Complexity: 130

Purity/Quality:

99%, ^*data from raw suppliers

6-Iodo-1,1,1,2,2-pentafluorohexane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCI)CC(C(F)(F)F)(F)F

Technology Process of 6-Iodo-1,1,1,2,2-pentafluorohexane

There total 5 articles about 6-Iodo-1,1,1,2,2-pentafluorohexane 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: 83.0%

1-methanesulfonyloxy-5,5,6,6,6-pentafluorohexane (344452-09-1) → 1-iodo-5,5,6,6,6-pentafluorohexane (344452-10-4)

Guidance literature:

With sodium iodide; In water; acetone;

Reference yield:

polytetrafluoroethylene (116-14-3,82785-14-6) + ethene (74-85-1) + 1,1,1,2,2-pentafluoro-4-iodobutane (40723-80-6,71215-70-8) → 1-iodo-5,5,6,6,6-pentafluorohexane (344452-10-4) + 1,1,2,2,5,5,6,6-octahydroperfluoro-1-iodooctane (1160186-81-1) + 1,1,2,2,5,5,6,6,9,9,10,10-dodecahydroperfluoro-1-iodododecane (1160186-82-2) + C16H16F17I + C10H8F13I + C12H8F17I + C10H12F9I + C10H12F9I + C14H12F17I + C14H12F17I + C16H12F21I + C16H12F21I + C14H16F13I + C18H16F21I + C18H16F21I + C18H16F21I

Guidance literature:

With dilauryl peroxide; at 70 ℃; for 14h; under 3863.02 - 9034.64 Torr; Pressure;

DOI:10.1016/j.jfluchem.2014.10.004

Reference yield:

polytetrafluoroethylene (116-14-3,82785-14-6) + ethene (74-85-1) + 1,1,1,2,2-pentafluoro-4-iodobutane (40723-80-6,71215-70-8) → 1-iodo-5,5,6,6,6-pentafluorohexane (344452-10-4) + 1,1,2,2,5,5,6,6-octahydroperfluoro-1-iodooctane (1160186-81-1) + 1,1,2,2,5,5,6,6,9,9,10,10-dodecahydroperfluoro-1-iodododecane (1160186-82-2) + C10H8F13I + C12H8F17I + C14H12F17I + C14H12F17I + C16H12F21I + C16H12F21I

Guidance literature:

With dilauryl peroxide; at 75 ℃; for 4.5h; under 3863.02 - 9034.64 Torr;

DOI:10.1016/j.jfluchem.2014.10.004

upstream raw materials:

1-methanesulfonyloxy-5,5,6,6,6-pentafluorohexane

polytetrafluoroethylene

ethene

1,1,1,2,2-pentafluoro-4-iodobutane

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