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CS-W001157 4
Total: USD 88.00

1-Bromo-3-(trifluoromethoxy)benzene

  • CAS No. 2252-44-0

  • Cat. No. CS-W012800
  • Purity≥97%
  • MDL No.MFCD00040943

*For research and further manufacturing use only, not for direct human use.

1-Bromo-3-(trifluoromethoxy)benzene|CS-W012800

Structure of 2252-44-0

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General Information

  • CAS No. 2252-44-0
  • Cat. No. CS-W012800
  • Purity ≥97%
  • MDL No. MFCD00040943
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrF₃O
  • Molecular Weight 241.01
  • Synonym(s) m-Bromotrifluoromethoxybenzene
  • SMILES C1=C(C=C(C=C1)OC(F)(F)F)Br

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.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].

Synthesis

  • Route1

    References

    • MITENI S.P.A. Patent: WO2007/107820 A2, 2007 ; Location in patent: Page/Page column 9 ;
  • Route2

    References

    • MITENI S.P.A. Patent: WO2007/107820 A2, 2007 ; Location in patent: Page/Page column 8-9 ;
  • Route3

    References

    • WO2007/107820 A2, ; Page/Page column 7 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   3.3477
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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