6669-01-8

Basic information

• Product Name: 2-(PENTAFLUOROPHENOXY)ETHYL BROMIDE
• Synonyms: 2-(PENTAFLUOROPHENOXY)ETHYL BROMIDE;1-(2-BROMO-ETHOXY)-2,3,4,5,6-PENTAFLUORO-BENZENE;1-BROMO-2-(PENTAFLUOROPHENOXY)ETHANE;(2-Bromoethoxy)perfluorobenzene;(2-Bromoethoxy)pentafluorobenzene
• CAS NO: 6669-01-8
• Molecular Formula: C₈H₄BrF₅O
• Molecular Weight: 291.01
• Mol File: 6669-01-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 235.6°C at 760 mmHg
• Flash Point: 116.9°C
• Appearance: /
• Density: 1.772g/cm³
• Vapor Pressure: 0.076mmHg at 25°C
• Refractive Index: 1.463
• CAS DataBase Reference: 2-(PENTAFLUOROPHENOXY)ETHYL BROMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(PENTAFLUOROPHENOXY)ETHYL BROMIDE(6669-01-8)
• EPA Substance Registry System: 2-(PENTAFLUOROPHENOXY)ETHYL BROMIDE(6669-01-8)

Safety Data

• Hazardous Substances Data: 6669-01-8(Hazardous Substances Data)

Usage

General Description

2-(Pentafluorophenoxy)ethyl bromide, also known as 2-bromoethyl pentafluorophenyl ether, is a chemical compound with the formula C8H4BrF5O. It is commonly used as a building block or intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. 2-(PENTAFLUOROPHENOXY)ETHYL BROMIDE is a colorless, odorless liquid that is highly reactive and should be handled with caution. It is often used as a versatile reagent in organic synthesis due to its ability to introduce the pentafluorophenyl group into various molecules, and it is also used as a precursor for the synthesis of fluorinated compounds. Additionally, it has been studied for its potential use as a flame retardant and as a reagent in the synthesis of polymers.

InChI:InChI=1/C8H4BrF5O/c9-1-2-15-8-6(13)4(11)3(10)5(12)7(8)14/h1-2H2

Upstream product

• 2192-55-4 2-(pentafluorophenoxy)ethanol 
• 771-61-9 2,3,4,5,6-pentafluorophenol 
• 106-93-4 ethylene dibromide 

Downstream Products

• 70860-20-7 1,1-Dimethyl-3-[3-(2-pentafluorophenyloxy-ethoxy)-phenyl]-urea 
• 92326-19-7 1,4-Di(N,N-pentamethylen)-piperazinium-dibromid 

Relevant articles and documents

Inter- and Intramolecular Aryl–Aryl Interactions in Partially Fluorinated Ethylenedioxy-bridged Bisarenes**

Several ethylenedioxy-bridged bisarenes with a variety of type and number of aryl groups were synthesized to study non-covalent dispersion-driven inter- and intramolecular aryl–aryl interactions in the solid state and gas phase. Intramolecular interactions are preferably found in the gas phase. DFT calculations with and without dispersion correction show larger interacting aromatic groups increase the stabilization energy of folded conformers and decrease the intermolecular centroid–centroid distance. Single-molecule structures generally adopt folded conformations with short intramolecular aryl–aryl contacts. Gas electron diffraction experiments were performed exemplarily for 1-(pentafluorophenoxy)-2-(phenoxy)ethane. A new procedure for structure refinement was developed to deal with the conformational complexity of such molecules. The results are an experimental confirmation of the existence of folded conformations of this molecule with short intramolecular aryl–aryl distances in the gas phase. Solid-state structures are dominated by stretched structures without intramolecular aryl–aryl interactions but interactions with neighboring molecules.