343870

1-Bromo-3-(trifluoromethoxy)benzene

99%

• Linear Formula: BrC₆H₄OCF₃
• CAS Number: 2252-44-0
• Molecular Weight: 241.01
• MDL number: MFCD00040943
• UNSPSC Code: 12352100
• PubChem Substance ID: 24861214
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• form: liquid
• refractive index: n20/D 1.462 (lit.)
• density: 1.62 g/mL at 25 °C (lit.)
• functional group: bromo; fluoro
• 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

Description

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].

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 145.4 °F - closed cup
• Flash Point(C): 63 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves