2,3,4,5,6-Pentafluorobenzyl alcohol Chemical Properties

Melting point:

37-38 °C(lit.)

Boiling point:

114-115 °C60 mm Hg(lit.)

Density 

1.4485 (estimate)

Flash point:

190 °F

storage temp. 

Sealed in dry,2-8°C

solubility 

Chloroform (Slightly), Methanol (Slightly)

form 

Solid

pka

13.07±0.10(Predicted)

color 

White

BRN 

2052669

InChI

InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2

InChIKey

PGJYYCIOYBZTPU-UHFFFAOYSA-N

SMILES

C1(CO)=C(F)C(F)=C(F)C(F)=C1F

CAS DataBase Reference

440-60-8(CAS DataBase Reference)

NIST Chemistry Reference

2,3,4,5,6-Pentafluorobenzyl alcohol(440-60-8)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

22-36/37/38

Safety Statements 

36-36/37/39-26-22-24/25

WGK Germany 

3

RTECS 

DP0695000

HazardClass 

IRRITANT

HS Code 

29062900

MSDS

• Language:English Provider:(2,3,4,5,6-Pentafluorophenyl)methanol
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

2,3,4,5,6-Pentafluorobenzyl alcohol Usage And Synthesis

Chemical Properties

white crystalline mass

Uses

2,3,4,5,6-Pentafluorobenzyl alcohol was used in the synthesis of pentafluorobenzyloxy substituted metal-free phthalocyanine.

Definition

ChEBI: An organofluorine compound that is benzyl alcohol substituted by fluoro groups at positions 2, 3, 4, 5 and 6.

General Description

Structures of complex of horse liver alchohol dehydrogenase enzyme with 2,3,4,5,6-pentafluorobenzyl alcohol has been investigated by X-ray crystallography.

Synthesis

General procedure for the synthesis of pentafluorobenzyl alcohol from pentafluorobenzaldehyde: A mixture of pentafluorobenzaldehyde (1.5 mmol), catalyst (0.01 mmol), and isopropanol (18.5 mL) was stirred for 10 minutes at 82 °C. Subsequently, 1.5 mL of 0.1 M KOH (0.15 mmol) solution was added to the mixture. The reaction mixture was stirred continuously at reflux temperature. During the reaction, aliquots were periodically removed from the reaction vessel and the reaction progress was monitored by gas chromatography (GC) and hydrogen nuclear magnetic resonance (1H NMR). The yield of the final product was the average of two independent experiments.

References

[1] Journal of Organometallic Chemistry, 2016, vol. 807, p. 36 - 44
[2] Dalton Transactions, 2015, vol. 44, # 41, p. 18237 - 18246
[3] Journal of the American Chemical Society, 2014, vol. 136, # 45, p. 15813 - 15816
[4] Steroids, 2011, vol. 76, # 10-11, p. 1136 - 1140
[5] Journal of the Chemical Society, 1961, p. 808 - 817

2,3,4,5,6-Pentafluorobenzyl alcohol(440-60-8)Related Product Information

• Florfenicol
• 4-Nitrobenzyl alcohol
• Benzyl alcohol
• 1,2-Difluorobenzene
• alpha-Chloro-o-fluorotoluene
• Transfluthrin
• Ethyl acetate
• Haloperidol
• Methanol
• [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl 2,2-dimethyl-3-pro p-1-enyl-cyclopropane-1-carboxylate
• 4-Fluorobenzyl chloride
• Phenethyl alcohol
• 3-Fluorobenzyl alcohol
• 4-Fluorobenzaldehyde
• METHYL PENTAFLUOROBENZOATE
• Pentafluorobenzoic acid
• Pentafluorobenzaldehyde
• Isopropoxypentafluorobenzene