830-50-2

Basic information

• Product Name: 1-(PENTAFLUOROPHENYL)ETHANOL, 97
• Synonyms: 1-(PENTAFLUOROPHENYL)ETHANOL, 97;2,3,4,5,6-pentafluoro-alpha-methylbenzyl alcohol;1-(2,3,4,5,6-Pentafluorophenyl)-ethanol;(±)-α-methyl-2,3,4,5,6-pentafluorobenzyl alcohol;1-(1-Hydroxyethyl)-2,3,4,5,6-pentafluorobenzene;2,3,4,5,6-Pentafluoro-α-methylbenzenemethanol;α-Methyl-2,3,4,5,6-pentafluorobenzenemethanol;2,3,4,5,6-pentafluoro-α-methylbenzyl alcohol
• CAS NO: 830-50-2
• Molecular Formula: C₈H₅F₅O
• Molecular Weight: 212.116716
• EINECS: 212-597-7
• Mol File: 830-50-2.mol
• Article Data: 21

Chemical Properties

• Melting Point: 34-37°C
• Boiling Point: 102-103°C/30mm
• Flash Point: 87°C
• Appearance: /
• Density: 1.498±0.06 g/cm3(Predicted)
• Refractive Index: 1.44
• Storage Temp.: 2-8°C
• PKA: 13.14±0.20(Predicted)
• BRN: 5268491
• CAS DataBase Reference: 1-(PENTAFLUOROPHENYL)ETHANOL, 97(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(PENTAFLUOROPHENYL)ETHANOL, 97(830-50-2)
• EPA Substance Registry System: 1-(PENTAFLUOROPHENYL)ETHANOL, 97(830-50-2)

Safety Data

• Hazard Codes: Xi,F
• Statements: 36-11
• Safety Statements: 26-36
• Hazardous Substances Data: 830-50-2(Hazardous Substances Data)

Usage

General Description

1-(Pentafluorophenyl)ethanol, 97 is a chemical compound with a purity of 97%. It is a colorless liquid with the molecular formula C8H5F5O. 1-(PENTAFLUOROPHENYL)ETHANOL, 97 is often used as a building block in the synthesis of various organic compounds and pharmaceuticals. It has an aromatic pentafluorophenyl group attached to an ethyl alcohol functional group, making it useful for reactions that require both a phenyl and an alcohol group. Additionally, it is a versatile reagent for organic synthesis and can be used in the preparation of various intermediates for drug development and fine chemicals.

Upstream product

• 897049-54-6 2-(1-pentafluorophenyl-ethyl)-benzo[1,3,2]dioxaborole 
• 879-06-1 pentafluorophenylmagnesium chloride 
• 75-07-0 acetaldehyde 
• 652-29-9 2',3',4',5',6'-pentafluoroacetophenone 
• 392-56-3 Hexafluorobenzene 
• 79-33-4 L-Lactic acid 
• 445-27-2 2'-Fluoroacetophenone 
• 879-05-0 2,3,4,5,6-pentafluorophenylmagnesium bromide 
• 653-34-9 2,3,4,5,6-pentafluorostyrene 
• 363-72-4 Pentafluorobenzene 
• 64-17-5 ethanol 

Downstream Products

• 40395-04-8 α-Pentafluorphenylethyl-triphenylmethyl-ether 
• 104371-20-2 (S)-1-(2',3',4',5',6'-perfluorophenyl)ethanol 
• 104371-21-3 (R)-(+)-1-(pentafluorophenyl)ethanol 
• 862731-95-1 2-[1-(2,3,4,5,6-pentafluorophenyl)ethoxy]-1,3,2-benzodioxaphospholene 
• 652-29-9 2',3',4',5',6'-pentafluoroacetophenone 
• 715-35-5 (1,2-dibromo-ethyl)-pentafluoro-benzene 
• 109390-65-0 Trifluoro-acetic acid 1-pentafluorophenyl-ethyl ester 
• 109390-66-1 Formic acid 1-pentafluorophenyl-ethyl ester 
• 90095-68-4 1-(pentafluorophenyl)ethyl ethyl ether 
• 148203-91-2 Methanesulfonic acid 1-(2,3,4,5-tetrafluoro-phenyl)-ethyl ester 

Relevant articles and documents

Decarboxylative Polyfluoroarylation of Alkylcarboxylic Acids

Polyfluoroarenes are useful building blocks in several areas such as drug discovery, materials, and crop protection. Herein, we report the first polyfluoroarylation of aliphatic carboxylic acids via photoredox decarboxylation. The method proceeds with bro

Asymmetric Hydrogenation of Aryl Perfluoroalkyl Ketones Catalyzed by Rhodium(III) Monohydride Complexes Bearing Josiphos Ligands

The asymmetric hydrogenation of 2,2,2-trifluoroacetophenones and aryl perfluoroalkyl ketones was developed using a unique, well-defined chloride-bridged dinuclear rhodium(III) complex bearing Josiphos-type diphosphine ligands. These complexes were prepared from [RhCl(cod)]2, Josiphos ligands, and hydrochloric acid. As catalyst precursors, they allow for the efficient and enantioselective synthesis (up to 99 % ee) of chiral secondary alcohols with perfluoroalkyl groups. This system does not require an activating base for the hydrogenation of 2,2,2-trifluoroacetophenones. Additionally, the enantioselective C=O hydrogenations of 2-phenyl-3-(haloacetyl)-indoles, a class of privileged structures in medicinal chemistry, is reported for the first time.

C(sp2)-F Oxidative Addition of Fluorinated Aryl Ketones by iPrPCPIr

The reaction of iPrPCPIrH4 (iPrPCP = κ3-2,6-C6H3(CH2P(iPr)2)2) with ≥2 equiv of 2,3,4,5,6-pentafluoroacetophenone (AP-F5) in aromatic solvents at