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CS-W001157 4
Total: USD 88.00

4-Bromo-4'-(trifluoromethyl)-1,1'-biphenyl

  • CAS No. 69231-87-4

  • Cat. No. CS-0194262
  • Purity≥97%
  • MDL No.None

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

4-Bromo-4'-(trifluoromethyl)-1,1'-biphenyl|CS-0194262

Structure of 69231-87-4

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General Information

  • CAS No. 69231-87-4
  • Cat. No. CS-0194262
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈BrF₃
  • Molecular Weight 301.10
  • Synonym(s) 4-Bromo-4'-(trifluoromethyl)biphenyl
  • SMILES C1=C(C=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)Br

Synthesis

  • Route1

    References

    • Pfizer Inc. Patent: US2012/165343 A1, 2012 ; Location in patent: Page/Page column 69 ;
  • Route2

    References

    • Yu, Jung-Yi; Kuwano, Ryoichi Angewandte Chemie, International Edition, 2009 , vol. 48, # 39 p. 7217 - 7220 Angewandte Chemie, 2009 , vol. 121, # 39 p. 7353 - 7356
  • Route3
    • 2-(4'-Bromo-[1,1'-biphenyl]-4-yl)-2,2-difluoroacetic acid|CS-0504150
      1436389-34-2
    • ~83%
    • 4-Bromo-4'-(trifluoromethyl)-1,1'-biphenyl|CS-0194262
      69231-87-4

    References

    • Mizuta, Satoshi; Stenhagen, Ida S.R.; O'Duill, Miriam; Wolstenhulme, Jamie; Kirjavainen, Anna K.; Forsback, Sarita J.; Tredwell, Matthew; Sandford, Graham; Moore, Peter R.; Huiban, Mickael; Luthra, Sajinder K.; Passchier, Jan; Solin, Olof; Gouverneur, Veronique Organic Letters, 2013 , vol. 15, # 11 p. 2648 - 2651

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 : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   5.1349
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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