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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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
190.4 °F - closed cup
flash_point_c
88 °C - closed cup
ppe
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Structures of horse liver alcohol dehydrogenase complexed with NAD+ and substituted benzyl alcohols.
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
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.
C Oman
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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
Novel phthalocyanines with pentafluorobenzyloxy-substituents.
Selcukoglu M and Hamuryudan E.
Dyes and Pigments, 74(1), 17-20 (2007)
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