64018-25-3

Basic information

• Product Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl chloride
• Synonyms: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl chloride;3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctanoic acid chloride
• CAS NO: 64018-25-3
• Molecular Formula: C₈H₂ClF₁₃O
• Molecular Weight: 382.5496016
• EINECS: 264-606-9
• Mol File: 64018-25-3.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 165°C at 760 mmHg
• Flash Point: 78.2°C
• Appearance: /
• Density: 1.573g/cm³
• Vapor Pressure: 2.51mmHg at 25°C
• Refractive Index: 1.303
• CAS DataBase Reference: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl chloride(CAS DataBase Reference)
• NIST Chemistry Reference: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl chloride(64018-25-3)
• EPA Substance Registry System: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl chloride(64018-25-3)

Safety Data

• Hazardous Substances Data: 64018-25-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H4ClF13/c9-2-1-3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)22/h1-2H2

Upstream product

• 647-42-7 1H,1H,2H,2H-tridecafluoro-n-octanol 
• 53826-12-3 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid 

Downstream Products

• 335-57-9 perfluoroheptane 
• 375-83-7 perfluoro-1H-heptane 
• 335-66-0 perfluorooctanoyl fluoride 
• 144584-07-6 2-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-octanoylamino)-benzoic acid 

Relevant articles and documents

A rationally designed perfluorinated host for the extraction of PFOA from water utilising non-covalent interactions

Perfluorooctanoic acid (PFOA) is a persistent organic pollutant and widespread in the environment. Three hosts have been synthesized based upon the formation of a fluorous cavity and hydrogen bonding receptors with the aim of extracting PFOA from water into organic solvents. The hosts based upon a calix[4]arene functionalized at the lower rim with amide groups and fluorous ponytails are effective for the quantitative removal of PFOA. Modification to a partial cone or a trisaminoamine framework reduces the conformational rigidity and lowers the extraction efficiency. A comprehensive NMR spectroscopic analysis both in solution and the solid state, along with other characterization techniques, has elucidated the stoichiometry of the host:guest species and the binding constants have been measured. A computational study has given further insight into the binding modes and corroborated the spectroscopic measurements.

Novel light-fluorous TEMPO reagents and their application in oxidation reactions

The synthesis of two light-fluorous TEMPO derivatives is reported, along with their application in oxidation reactions.

Yield improvement in the electrochemical production of pefluorooctanoic acid

The possibility of obtaining real yield improvements in the industrial electrochemical production of perfluorooctanoic acid is discussed on the basis of recent experimental data obtained using perfluorohexyl acetyl chloride in place of octanoyl chloride as a starting material.In particular, the effect of the non-formation of cyclic byproducts on the yield of perfluoro-octanoic acid has been examined, as well as considering previous results obtained starting from a different partially fluorinated precursor, 4-perfluorobutyl butanoyl chloride.The yield of perfluoro-octanoic acid from perfluorohexyl acetyl chloride was less than expected, because of an accompanying increase in perfluoro-n-heptane formation.