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CS-W001157 4
Total: USD 88.00

3-Bromo-2,4,6-trifluoroaniline

  • CAS No. 762297-95-0

  • Cat. No. CS-0564605
  • Purity≥98%
  • MDL No.None

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

3-Bromo-2,4,6-trifluoroaniline|CS-0564605

Structure of 762297-95-0

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General Information

  • CAS No. 762297-95-0
  • Cat. No. CS-0564605
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃BrF₃N
  • Molecular Weight 225.99
  • Synonym(s) Benzenamine, 3-bromo-2,4,6-trifluoro-
  • SMILES FC1=C(Br)C(F)=C(N)C(F)=C1

Synthesis

  • Route1
    • 2-Bromo-1,3,5-trifluoro-4-nitrobenzene|CS-0671559
      762297-93-8
    • ~84%
    • 3-Bromo-2,4,6-trifluoroaniline|CS-0564605
      762297-95-0

    References

    • H. Lundbeck A/S Patent: US2005/154022 A1, 2005 ; Location in patent: Page/Page column 5; 12 ; US 20050154022 A1
  • Route2

    References

    • Jiang, Yu; Chen, Chien-An; Lu, Kai; Daniewska, Irena; De Leon, John; Kong, Ron; Forray, Carlos; Li, Boshan; Hegde, Laxminarayan G.; Wolinsky, Toni D.; Craig, Douglas A.; Wetzel, John M.; Andersen, Kim; Marzabadi, Mohammad R. Journal of Medicinal Chemistry, 2007 , vol. 50, # 16 p. 3870 - 3882

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.4486
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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