370622
4-(Trifluoromethoxy)benzyl bromide
97%
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About This Item
Linear Formula:
CF3OC6H4CH2Br
CAS Number:
Molecular Weight:
255.03
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
4-(Trifluoromethoxy)benzyl bromide, 97%
InChI
1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2
SMILES string
FC(F)(F)Oc1ccc(CBr)cc1
InChI key
JDNPUJCKXLOHOW-UHFFFAOYSA-N
assay
97%
form
liquid
refractive index
n20/D 1.48 (lit.)
bp
82-84 °C/10 mmHg (lit.)
density
1.594 g/mL at 25 °C (lit.)
functional group
bromo
fluoro
Quality Level
Related Categories
Application
4-(Trifluoromethoxy)benzyl bromide may be used in the synthesis of bioreductive drug, (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824).
General description
Polymerizations of 4-(trifluoromethoxy)benzyl bromide, via Friedel-Crafts polymerization using aluminum chloride as a catalyst has been reported.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
201.2 °F - closed cup
flash_point_c
94 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Regulatory Information
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Andrew M Thompson et al.
Journal of medicinal chemistry, 52(3), 637-645 (2008-12-23)
The nitroimidazooxazine S-1 (PA-824) is a new class of bioreductive drug for tuberculosis. A series of related bicyclic nitroheterocycles was synthesized, designed to have a wide range of one-electron reduction potentials E(1) (from -570 to -338 mV, compared with -534
Synthesis and properties of fluorine-containing poly (arylenemethylene) s as new heat resistant denatured phenolic resins.
Nemoto T, et al.
Polymer Journal, 40(7), 622-628 (2008)
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