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196746

Sigma-Aldrich

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

98%

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

Quality Level

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

WGK

WGK 3

Flash Point(F)

190.4 °F

Flash Point(C)

88 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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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
V G Voinov et al.
Analytical chemistry, 76(10), 2951-2957 (2004-05-18)
A prototype gas chromatograph (GC) electron monochromator (EM) reflectron time-of-flight (TOF) mass spectrometer has been constructed and demonstrated to simultaneously record four-dimensional resonant electron capture (REC) mass spectra (m/z, ion-intensity, electron-energy, and retention time) of electron-capturing compounds in real time.
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
Novel phthalocyanines with pentafluorobenzyloxy-substituents.
Selcukoglu M and Hamuryudan E.
Dyes and Pigments, 74(1), 17-20 (2007)

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