1H,8H-Perfluorooctane

Base Information

• Chemical Name: 1H,8H-Perfluorooctane
• CAS No.: 307-99-3
• Molecular Formula: C₈H₂F₁₆
• Molecular Weight: 402.078
• Hs Code.: 29033990
• European Community (EC) Number: 806-759-1
• DSSTox Substance ID: DTXSID60379941
• Nikkaji Number: J672.551A
• Wikidata: Q81985845
• Mol file: 307-99-3.mol

Synonyms:1H,8H-Perfluorooctane;307-99-3;1H,8H-Hexadecafluorooctane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane;Octane, perfluoro-1,8-dihydro;SCHEMBL1824498;DTXSID60379941;MFCD00155850;AKOS016016013;FT-0607862;A820628;J-018145;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecakis(fluoranyl)octane

Chemical Property of 1H,8H-Perfluorooctane

Chemical Property:

• Vapor Pressure: 7.76mmHg at 25°C
• Melting Point: 134-138 ºC
• Refractive Index: 1.264
• Boiling Point: 140.1 ºC at 760 mmHg
• Flash Point: 43.2 ºC
• PSA: 0.00000
• Density: 1.616 g/cm³
• LogP: 5.32840
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 7
• Exact Mass: 401.9901007
• Heavy Atom Count: 24
• Complexity: 405

Purity/Quality:

98%Min ^*data from raw suppliers

1H,8H-Perfluorooctane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1H,8H-Perfluorooctane

There total 14 articles about 1H,8H-Perfluorooctane 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: 91.5%

1,8-diiodoperfluorooctane (335-70-6) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1H,8H-perfluorooctane (307-99-3) + 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-decanedial + 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-Hexadecafluoro-decanedioic acid bis-dimethylamide

Guidance literature:

With lead(II) bromide; aluminium; at 40 ℃; for 1.5h;

DOI:10.1016/S0022-1139(00)80105-0

Reference yield: 90.0%

1-chloro-1H,8H-hexadecafluoro-octane (423-53-0) → 1H,8H-perfluorooctane (307-99-3)

Guidance literature:

With hydrazine hydrate; zinc; In N,N-dimethyl-formamide; at 70 ℃; for 2h;

DOI:10.1016/0022-1139(95)03232-3

Reference yield: 90.0%

1-chloro-1H,8H-hexadecafluoro-8-iodo-octane (16486-98-9) → 1H,8H-perfluorooctane (307-99-3)

Guidance literature:

With hydrazine hydrate; zinc; In N,N-dimethyl-formamide; at 80 ℃; for 2h;

DOI:10.1016/0022-1139(95)03232-3

upstream raw materials:

1H,1H,9H-hexadecafluoro-1-nonanol

2,2,3,3,4,4,5,5-octafluoropentanoyl chloride

2,2,3,3,4,4,5,5-octafluorovaleric acid

5-Hydro-octafluor-valerylfluorid

Downstream raw materials:

diethyl 2,2'-(perfluorooctane-1,8-diyl)dibenzoate

Refernces

• 1、 Wu, Fang-Hong,Huang, Bing-Nan,Huang, Wei-Yuan. "Studies on polyhaloalkanes. V. A new reduction system: zinc/hydrazine hydrate". . p. 159 - 160. Retrieved 1995.
• 2、 -. "Method for preparing α-substituted ω-hydroperfluoroalkanes". . . Retrieved 2008/06/13.