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370622

Sigma-Aldrich

4-(Trifluoromethoxy)benzyl bromide

97%

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About This Item

Linear Formula:
CF3OC6H4CH2Br
CAS Number:
50824-05-0
Molecular Weight:
255.03
MDL number:
MFCD00061238
UNSPSC Code:
12352100
PubChem Substance ID:
24863081
NACRES:
NA.22

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

SMILES string

FC(F)(F)Oc1ccc(CBr)cc1

InChI

1S/C8H6BrF3O/c9-5-6-1-3-7(4-2-6)13-8(10,11)12/h1-4H,5H2

InChI key

JDNPUJCKXLOHOW-UHFFFAOYSA-N

General description

Polymerizations of 4-(trifluoromethoxy)benzyl bromide, via Friedel-Crafts polymerization using aluminum chloride as a catalyst has been reported.

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).

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H314

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

201.2 °F - closed cup

Flash Point(C)

94 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT1449
MKBV7766V
MKBR5064V
MKBQ7082V
MKBN2884V

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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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