1-(Perfluorohexyl)octane

Base Information

• Chemical Name: 1-(Perfluorohexyl)octane
• CAS No.: 133331-77-8
• Molecular Formula: C₁₄H₁₇F₁₃
• Molecular Weight: 432.268
• Hs Code.: 2903499090
• European Community (EC) Number: 432-570-5,696-198-7
• UNII: 7VYX4ELWQM
• DSSTox Substance ID: DTXSID20440585
• Nikkaji Number: J1.040.024D
• Wikidata: Q81985958
• RXCUI: 2637547
• Mol file: 133331-77-8.mol

Synonyms:F6H8 cpd;perfluorhexyl-octan;perfluorohexyl-octan;perfluorohexyloctane

Chemical Property of 1-(Perfluorohexyl)octane

Chemical Property:

• Vapor Pressure: 3.857Pa at 25℃
• Melting Point: 4.96 °C
• Boiling Point: 340 °C
• PSA: 0.00000
• Density: 1.331 g/cm3(Temp: 25 °C)
• LogP: 7.47580
• Water Solubility.: 0.992ng/L at 25℃
• XLogP3: 8.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 11
• Exact Mass: 432.1122666
• Heavy Atom Count: 27
• Complexity: 464

Purity/Quality:

99%+ ^*data from raw suppliers

1-(Perfluorohexyl)octane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Recent ClinicalTrials: Effect of NOV03 on Signs and Symptoms of Dry Eye Disease Associated With Meibomian Gland Dysfunction (Mojave Study)
• Uses: 1-(Perfluorohexyl)octane is used in preparation of Fluoroalkane by reduction of Halofluoroalkane in presence of precious metal catalyst and inorganic compound.

Technology Process of 1-(Perfluorohexyl)octane

There total 10 articles about 1-(Perfluorohexyl)octane 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: 92.0%

1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (335-56-8) + oct-1-ene (111-66-0,25068-25-1) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane (133331-77-8)

Guidance literature:

With tris-(trimethylsilyl)silane; 1,1'-azobis(1-cyanocyclohexanenitrile); In water; at 70 ℃; Inert atmosphere;

DOI:10.1021/jo100901z

Reference yield: 88.0%

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodotetradecane (109574-84-7) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane (133331-77-8)

Guidance literature:

With sodium tetrahydroborate; ethanol; for 4h; Reagent/catalyst; Cooling with ice; Reflux;

Reference yield: 75.0%

oct-1-ene (111-66-0,25068-25-1) + perfluoro-n-hexyl chloride (355-41-9) → 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorotetradecane (133331-77-8)

Guidance literature:

With triphenylphosphine; nickel dichloride; zinc; In N,N-dimethyl-formamide; at 100 ℃; for 7h;

DOI:10.1021/jo010178j

upstream raw materials:

oct-1-ene

perfluoro-n-hexyl chloride

1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

n-perfluorohexyl iodide

Refernces

• 1、 -. "MANUFACTURING METHOD OF FLUOROALKANE". . . Retrieved 2019/08/12.
• 2、 -. "PROCESS FOR THE PREPARATION OF SEMIFLUORINATED ALKANES USING GRIGNARD REAGENTS". Page/Page column 63-64. . Retrieved 2019/01/07.