1-(Perfluoro-n-octyl)hexadecane

Base Information

• Chemical Name: 1-(Perfluoro-n-octyl)hexadecane
• CAS No.: 117146-18-6
• Molecular Formula: C₂₄H₃₃F₁₇
• Molecular Weight: 644.499
• European Community (EC) Number: 851-057-0
• DSSTox Substance ID: DTXSID40381981
• Nikkaji Number: J928.606C
• Wikidata: Q82173226
• Mol file: 117146-18-6.mol

Synonyms:1-(Perfluoro-n-octyl)hexadecane;117146-18-6;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotetracosane;SCHEMBL22277214;DTXSID40381981;FTECWCULPOFDJS-UHFFFAOYSA-N;1-(Heptadecafluorooctyl)hexadecane;MFCD04038347;AKOS015852745;FT-0676899;A803723;Tetracosane,1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecakis(fluoranyl)tetracosane

Chemical Property of 1-(Perfluoro-n-octyl)hexadecane

Chemical Property:

• Vapor Pressure: 9.97E-07mmHg at 25°C
• Boiling Point: 415.4 ºC at 760 mmHg
• Flash Point: 176.1 ºC
• PSA: 0.00000
• Density: 1.244 g/cm³
• LogP: 11.86720
• XLogP3: 14.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 21
• Exact Mass: 644.2310798
• Heavy Atom Count: 41
• Complexity: 756

Purity/Quality:

98%min ^*data from raw suppliers

1-(Perfluoro-N-octyl)hexadecane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(Perfluoro-n-octyl)hexadecane

There total 4 articles about 1-(Perfluoro-n-octyl)hexadecane 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: 68.3%

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodotetracosane → 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorotetracosane (117146-18-6)

Guidance literature:

With hydrogenchloride; zinc; In ethanol; Heating;

DOI:10.1021/j100126a033

Reference yield:

1-iodoheptadecafluorooctane (507-63-1) → 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorotetracosane (117146-18-6)

Guidance literature:

Multi-step reaction with 2 steps

1: azobis(isobutyronitrile) (AIBN) / 0.25 h / 100 °C

2: 68.3 percent / HCl(g), Zn powder / ethanol / Heating

With hydrogenchloride; 2,2'-azobis(isobutyronitrile); zinc; In ethanol;

DOI:10.1021/j100126a033

Reference yield:

1-Hexadecene (629-73-2) → 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorotetracosane (117146-18-6)

Guidance literature:

Multi-step reaction with 2 steps

1: azobis(isobutyronitrile) (AIBN) / 0.25 h / 100 °C

2: 68.3 percent / HCl(g), Zn powder / ethanol / Heating

With hydrogenchloride; 2,2'-azobis(isobutyronitrile); zinc; In ethanol;

DOI:10.1021/j100126a033

upstream raw materials:

1-iodoheptadecafluorooctane

1-Hexadecene

Refernces

• 1、 Broniatowski,Dynarowicz-Latka,Witko. "Branching of the perfluorinated chain influences the liquid-crystalline properties of semifluorinated alkanes: Perfluorooctyl- and perfluoroisononyl-n- alkanes-a comparative study". . p. 63 - 74. Retrieved 2008/02/10.