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196746

Sigma-Aldrich

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

98%

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About This Item

Linear Formula:
C6F5CH2OH
CAS Number:
Molecular Weight:
198.09
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

form

solid

bp

114-115 °C/60 mmHg (lit.)

mp

37-38 °C (lit.)

SMILES string

OCc1c(F)c(F)c(F)c(F)c1F

InChI

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

InChI key

PGJYYCIOYBZTPU-UHFFFAOYSA-N

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.

Application

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

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

190.4 °F - closed cup

Flash Point(C)

88 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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C Oman
Environmental science & technology, 35(1), 232-239 (2001-05-16)
Emissions of organic compounds from landfills depend on the fate of the compounds inside the landfills. This field study was used to investigate the fate in landfills of organic compounds having different physical, chemical, and biological characteristics. For this purpose
Jon K Rubach et al.
Biochemistry, 41(52), 15770-15779 (2002-12-27)
The relationship between substrate mobility and catalysis was studied with wild-type and Phe93Ala (F93A) horse liver alcohol dehydrogenase (ADH). Wild-type ADH binds 2,3,4,5,6-pentafluorobenzyl alcohol in one position as shown by X-ray results, and (19)F NMR shows five resonances for the
H Eklund et al.
EXS, 71, 269-277 (1994-01-01)
The structures of horse liver alcohol dehydrogenase class I in its apoenzyme form and in different ternary complexes have been determined at high resolution. The complex with NAD+ and the substrate analogue pentafluorobenzyl alcohol gives a detailed picture of the
Novel phthalocyanines with pentafluorobenzyloxy-substituents.
Selcukoglu M and Hamuryudan E.
Dyes and Pigments, 74(1), 17-20 (2007)
S Ramaswamy et al.
Biochemistry, 33(17), 5230-5237 (1994-05-03)
Structures of the enzyme complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol were determined by X-ray crystallography at a resolution of 2.1 A and to a refinement R value of 18.3% for a monoclinic (P2(1)) form and to 2.4 A and an

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