Perfluoroheptane

Base Information

• Chemical Name: Perfluoroheptane
• CAS No.: 335-57-9
• Deprecated CAS: 156930-32-4,1201928-72-4
• Molecular Formula: C7F16
• Molecular Weight: 388.051
• Hs Code.: 29033990
• European Community (EC) Number: 206-392-1
• NSC Number: 79256
• UNII: I23ZVD1P1L
• DSSTox Substance ID: DTXSID8052019
• Nikkaji Number: J43.354C
• Wikipedia: Perfluoroheptane
• Wikidata: Q5945644
• Mol file: 335-57-9.mol

Synonyms:1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoro-;heptane, hexadecafluoro-;hexadecafluoroheptane;perfluoro-n-heptane;perfluoroheptane

Chemical Property of Perfluoroheptane

Chemical Property:

• Vapor Pressure: 82.6mmHg at 25°C
• Melting Point: -51.2°C
• Refractive Index: n20/D 1.3(lit.)
• Boiling Point: 83.887 °C at 760 mmHg
• Flash Point: 16.676 °C
• PSA: 0.00000
• Density: 1.745
• LogP: 5.28750
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform, Methanol (Sparingly)
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 4
• Exact Mass: 387.9744506
• Heavy Atom Count: 23
• Complexity: 394

Purity/Quality:

98% ^*data from raw suppliers

Hexadecafluoroheptane ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Uses: Hexadecafluoroheptane may be employed in solution-phase studies of perfluoropolyalkylene oligomers and in the preparation of fluorinated gel emulsions.

Technology Process of Perfluoroheptane

There total 26 articles about Perfluoroheptane 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: 64.0%

heptamethyleneimine (1121-92-2) → perfluoroheptane (335-57-9) + perfluoro N-fluoroheptamethyleneimine (132271-79-5) + azaperfluorooctane (131968-13-3)

Guidance literature:

With fluorine; at -78 - 55 ℃;

DOI:10.1016/S0022-1139(00)82176-4

Reference yield: 37.8%

4-(perfluoro-n-butyl)-n-butanoyl chloride (124778-16-1) → perfluoroheptane (335-57-9) + perfluorooctanoyl fluoride (335-66-0) + 2,2,3,3,4,4,5-heptafluoro-5-nonafluorobutyl-tetrahydro-furan (335-36-4,11072-16-5)

Guidance literature:

In hydrogen fluoride; at 5 ℃; for 26h; Product distribution; Mechanism; electrochemical fluorination, various conditions, comparison with industrial procedures;

DOI:10.1016/S0022-1139(00)84147-0

Reference yield: 33.9%

octanoic acid fluoride (592-94-9) → perfluoroheptane (335-57-9) + Perfluorooctanoic acid (335-67-1) + perfluorooctanoyl fluoride (335-66-0)

Guidance literature:

With hydrogen fluoride; Product distribution; electrolysis, ECF, nickel anode;

DOI:10.1016/S0022-1139(00)82246-0

upstream raw materials:

n-heptane

perfluoroheptyl iodide

heptamethyleneimine

quinoline

Downstream raw materials:

carbon tetrafluoride

Refernces

• 1、 Young,J.A.,Dresdner,R.D.. "-". . p. 833 - 835. Retrieved 1963.
• 2、 Lines, D.,Sutcliffe, H.. "THE ELECTROCHEMICAL FLUORINATION OF OCTANOYL FLUORIDE WITH ELECTROLYTE CIRCULATION". . p. 423 - 440. Retrieved 1981.
• 3、 Behr,Cheburkov. "A Lewis acid catalytic process for preparing fluorocarboxylic acid halides". . p. 369 - 372. Retrieved 2007/10/03.
• 4、 Napoli, M.,Conte, L.,Gambaretto, G. P.,Carlini, F. M.. "ELECTROCHEMICAL FLUORINATION OF 4-(PERFLUORO-n-BUTYL)-n-BUTANOYL CHLORIDE". . p. 213 - 224. Retrieved 2007/10/02.