196746
2,3,4,5,6-Pentafluorobenzyl alcohol
98%
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About This Item
Linear Formula:
C6F5CH2OH
CAS Number:
Molecular Weight:
198.09
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
207-126-7
MDL number:
Product Name
2,3,4,5,6-Pentafluorobenzyl alcohol, 98%
InChI key
PGJYYCIOYBZTPU-UHFFFAOYSA-N
InChI
1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
SMILES string
OCc1c(F)c(F)c(F)c(F)c1F
assay
98%
form
solid
bp
114-115 °C/60 mmHg (lit.)
mp
37-38 °C (lit.)
Quality Level
Application
2,3,4,5,6-Pentafluorobenzyl alcohol was used in the synthesis of pentafluorobenzyloxy substituted metal-free phthalocyanine.
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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
wgk
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
Regulatory Information
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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.
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
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
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
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
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