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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.)

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

370622-1G:
370622-5G:
370622-VAR:
370622-BULK:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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