PERFLUOROOCTANOYL FLUORIDE

Base Information

• Chemical Name: PERFLUOROOCTANOYL FLUORIDE
• CAS No.: 335-66-0
• Molecular Formula: C8F16O
• Molecular Weight: 416.062
• Hs Code.: 2915900090
• European Community (EC) Number: 206-396-3
• DSSTox Substance ID: DTXSID0059829
• Nikkaji Number: J193.774J
• Wikidata: Q72500597
• Mol file: 335-66-0.mol

Synonyms:Octanoylfluoride, pentadecafluoro- (6CI,7CI,8CI,9CI);F 06161;Pentadecafluorooctanoylfluoride;Perfluorocaprylic acid fluoride;Perfluorooctanoic acid fluoride;Perfluorooctanoyl fluoride;

Chemical Property of PERFLUOROOCTANOYL FLUORIDE

Chemical Property:

• Vapor Pressure: 13.6mmHg at 25°C
• Refractive Index: 1.2770 (589.3 nm 25℃)
• Boiling Point: 123.1 °C at 760 mmHg
• Flash Point: 39.9 °C
• PSA: 17.07000
• Density: 1.696 g/cm³
• LogP: 4.85660
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 6
• Exact Mass: 415.9693652
• Heavy Atom Count: 25
• Complexity: 527

Purity/Quality:

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

Perfluorooctanoyl fluoride 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): CXi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)(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 PERFLUOROOCTANOYL FLUORIDE

There total 19 articles about PERFLUOROOCTANOYL FLUORIDE 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: 95.0%

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-octanoic acid 1,1,2,2-tetrafluoro-2-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-nonafluorobutyloxy-ethoxy)-ethoxy]-ethoxy}-ethyl ester → perfluorooctanoyl fluoride (335-66-0) + Difluoro-{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-nonafluorobutyloxy-ethoxy)-ethoxy]-ethoxy}-acetyl fluoride

Guidance literature:

at 250 ℃;

DOI:10.1021/ja980727b

Reference yield: 95.0%

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-octanoic acid heptadecafluorooctyl ester → perfluorooctanoyl fluoride (335-66-0)

Guidance literature:

at 232 ℃;

DOI:10.1021/ja980727b

Reference yield: 85.0%

Perfluorooctanoic acid (335-67-1) → perfluorooctanoyl fluoride (335-66-0)

Guidance literature:

With 1-Chloro-2-(chloro-difluoro-methyl)-benzene; titanium tetrachloride; titanium(IV) oxide; at 120 - 130 ℃;

DOI:10.1016/S0022-1139(00)81030-1

upstream raw materials:

Perfluorooctanoic acid

pentadecafluorooctanoic anhydride

octanoic acid fluoride

sodium perfluorooctanoate

Downstream raw materials:

perfluoroheptane

Sodium perfluorooctanoxyacetate

Potassium perfluorooctanoxyacetate

1-Phenyl-2-[4-(1,1,2,2-tetrafluoro-2-heptadecafluorooctyloxy-ethyl)-phenyl]-ethane-1,2-dione

Refernces

• 1、 Prokop, H. W.,Zhou, H-J.,Xu, S-Q.,Wu, C-H.,Chuey, S. R.,Liu, C. C.. "PROCESS IMPROVEMENTS IN THE ELECTROCHEMICAL FLUORINATION OF OCTANOYL CHLORIDE". . p. 257 - 276. Retrieved 1989.
• 2、 -. "A full-fluorine octanoyl fluorine preparation method (by machine translation)". Paragraph 0021-0034. . Retrieved 2017/08/19.
• 3、 Petrov,Swearingen,Hong,Chris Petersen. "1,1,2,2-Tetrafluoroethyl-N,N-dimethylamine: A new selective fluorinating agent". . p. 25 - 31. Retrieved 2007/10/03.