104371-20-2

Basic information

• Product Name: S(-)-1-(PENTAFLUOROPHENYL)ETHANOL
• Synonyms: S(-)-1-(PENTAFLUOROPHENYL)ETHANOL;S(-)-ALPHA-METHYL-2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL;(S)-(-)-1-(PENTAFLUOROPHENYL)ETHANOL, FL UKABRAND CHIRASELECT REAGENT, 99+%;(s)-(-)-α-methyl-2,3,4,5,6-pentafluorobenzyl alcohol;(1S)-1-(2,3,4,5,6-Pentafluorophenyl)ethanol;(1S)-1-(Pentafluorophenyl)ethanol;(αS)-α-Methyl-2,3,4,5,6-pentafluorobenzenemethanol
• CAS NO: 104371-20-2
• Molecular Formula: C₈H₅F₅O
• Molecular Weight: 212.12
• Mol File: 104371-20-2.mol
• Article Data: 26

Chemical Properties

• Melting Point: 41-42 °C(lit.)
• Boiling Point: 162.9°Cat760mmHg
• Flash Point: 189 °F
• Appearance: /
• Density: 1.498g/cm³
• Vapor Pressure: 1.46mmHg at 25°C
• Refractive Index: 1.44
• BRN: 4314037
• CAS DataBase Reference: S(-)-1-(PENTAFLUOROPHENYL)ETHANOL(CAS DataBase Reference)
• NIST Chemistry Reference: S(-)-1-(PENTAFLUOROPHENYL)ETHANOL(104371-20-2)
• EPA Substance Registry System: S(-)-1-(PENTAFLUOROPHENYL)ETHANOL(104371-20-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• F: 10
• Hazardous Substances Data: 104371-20-2(Hazardous Substances Data)

Usage

Purification Methods

Recrystallise the ethanol from n-pentane at -40o and sublime it at 25o/0.3mm (use ice-cooled cold finger). It has also been purified by column chromatography through Kieselgel 60 (0.063-0.2mm mesh, Merck) and eluted with EtOAc/n-hexane (1:5), then recrystallised from n-pentane and sublimed in a vacuum. It has RF on Kieselgel 60 F254 TLC foil and eluting with EtOAc/n-hexane (1:5). [Meese Justus Liebigs Ann Chem 2004 1986.]

InChI:InChI=1/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3/t2-/m0/s1

Upstream product

• 653-37-2 perfluorobenzaldehyde 
• 544-97-8 dimethyl zinc(II) 
• 830-50-2 1-(pentafluorophenyl)ethanol 
• 127091-55-8 (R)-(-)-2-bromo-1-(pentafluorophenyl)-ethanol 
• 121680-77-1 (R)-(+)-2,3,4,5,6-pentafluorostyrene oxide 
• 108-22-5 Isopropenyl acetate 
• 108-05-4 vinyl acetate 
• 652-29-9 2',3',4',5',6'-pentafluoroacetophenone 

Downstream Products

• 473733-73-2 (-)-(E)-2-methyl-3-[(S)-1-(pentafluorophenyl)ethoxy]prop-2-enal 
• 134225-25-5 (4-Bromo-phenyl)-carbamic acid (S)-1-pentafluorophenyl-ethyl ester 
• 358725-37-8 (+)-1,2,3,4,5-pentafluoro-6-{1-(S)-[1E-2-methylbuta-1,3-dienyloxy]ethyl}benzene 

Relevant articles and documents

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

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