1H-Perfluorooctane

Base Information

• Chemical Name: 1H-Perfluorooctane
• CAS No.: 335-65-9
• Molecular Formula: C8HF17
• Molecular Weight: 420.069
• Hs Code.: 29033990
• European Community (EC) Number: 206-395-8
• DSSTox Substance ID: DTXSID00187143
• Nikkaji Number: J193.773A
• Wikidata: Q72500591
• Mol file: 335-65-9.mol

Synonyms:1H-Perfluorooctane;335-65-9;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctane;8H-Perfluorooctane;EINECS 206-395-8;1H-Heptadecafluorooctan;1H-Perfluorooctane, 99%;SCHEMBL64077;C8F17H;C8HF17;DTXSID00187143;C8-H-F17;MFCD00042109;AKOS015907812;FS-4275;FT-0607911;A821844;J-019258

Chemical Property of 1H-Perfluorooctane

Chemical Property:

• Vapor Pressure: 16mmHg at 25°C
• Refractive Index: n20/D 1.300(lit.)
• Boiling Point: 123.5 °C at 760 mmHg
• Flash Point: 36.7 °C
• PSA: 0.00000
• Density: 1.654 g/cm³
• LogP: 5.62560
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 6
• Exact Mass: 419.9806788
• Heavy Atom Count: 25
• Complexity: 481

Purity/Quality:

98%,99%, ^*data from raw suppliers

1H-Perfluorooctane 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

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)F

Technology Process of 1H-Perfluorooctane

There total 65 articles about 1H-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: 94.1%

1-iodoheptadecafluorooctane (507-63-1) → hydroperfluorooctane (335-65-9)

Guidance literature:

With ethanol; sodium ethanolate; at 75 - 80 ℃; for 5h; Reagent/catalyst; Inert atmosphere; Large scale;

Reference yield: 87.0%

(Z)-1-F-octyl-1-benzoyloxy-2-fluoroethylene → hydroperfluorooctane (335-65-9) + benzoyl fluoride (455-32-3) + Fluoro-acetic acid 2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethyl ester

Guidance literature:

With potassium fluoride; diethylene glycol; at 120 ℃; for 2h;

Reference yield: 87.0%

(Z)-1-F-octyl-1-benzoyloxy-2-fluoroethylene + 2,2'-[1,2-ethanediylbis(oxy)]bisethanol (112-27-6) → hydroperfluorooctane (335-65-9) + benzoyl fluoride (455-32-3) + Fluoro-acetic acid 2-[2-(2-hydroxy-ethoxy)-ethoxy]-ethyl ester

Guidance literature:

With potassium fluoride; at 120 ℃; for 2h;

upstream raw materials:

1-chloro-1H,8H-hexadecafluoro-octane

1-iodoheptadecafluorooctane

n-perfluorooctanesulfinic acid

methyl thiocyanate

Downstream raw materials:

1-Chloroperfluorooctane

perfluorocetane

Fluorosulfuric acid heptadecafluorooctyl ester

Perfluorooctane

Refernces

• 1、 Chen, Grace J.,Chen, Loomis S.. "Perfluoroalkylations and perfluorooxaalkylations. Part 3. Chloro-substituted diazines as substrates in copper-mediated cross-coupling". . p. 113 - 120. Retrieved 1995.
• 2、 Battais et al.. "". . p. 531,544. Retrieved 1979.
• 3、 Nakamura, Takako,Yabe, Akira. "Perfluoroalkylation of Benzene by 185 nm Photolysis of Perfluoroazooctane". . p. 1573 - 1576. Retrieved 1994.
• 4、 Beniazza, Redouane,Atkinson, Rachel,Absalon, Christelle,Castet, Frédéric,Denisov, Sergey A.,McClenaghan, Nathan D.,Lastécouères, Dominique,Vincent, Jean-Marc. "Benzophenone vs. Copper/Benzophenone in Light-Promoted Atom Transfer Radical Additions (ATRAs): Highly Effective Iodoperfluoroalkylation of Alkenes/Alkynes and Mechanistic Studies". . p. 2949 - 2961. Retrieved 2016/09/16.
• 5、 Rubio,Blancou,Commeyras. "-". . p. 1 - 5. Retrieved 2007/10/03.