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Sigma-Aldrich

1-Bromo-3-(trifluoromethoxy)benzene

99%

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Linear Formula:
BrC6H4OCF3
CAS Number:
Molecular Weight:
241.01
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

99%

form

liquid

refractive index

n20/D 1.462 (lit.)

density

1.62 g/mL at 25 °C (lit.)

SMILES string

FC(F)(F)Oc1cccc(Br)c1

InChI

1S/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H

InChI key

WVUDHWBCPSXAFN-UHFFFAOYSA-N

Related Categories

General description

1-Bromo-3-(trifluoromethoxy)benzene undergoes Diels-Alder reaction with lithium diisopropylamide (LDA) in THF and furan, to yield the corresponding 1,4-dihydro-1,4-epoxy-5- or 6-(trifluoromethoxy)naphthalenes.

Application

1-Bromo-3-(trifluoromethoxy)benzene may be used in the preparation of 1,2-dehydro-3-(trifluoromethoxy)benzene. It may be used in the synthesis of new electronically deficient atropisomeric diphosphine ligand (S)-CF3O-BiPhep [2,2′-bis(diphenylphosphino)-6,6′-ditrifluoromethoxy-1,1′-biphenyl].

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

145.4 °F - closed cup

flash_point_c

63 °C - closed cup

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)


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