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CS-W001157 4
Total: USD 88.00

4-Bromo-3-(trifluoromethoxy)aniline

  • CAS No. 116369-25-6

  • Cat. No. CS-0084328
  • Purity≥97%
  • MDL No.MFCD11506046

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

4-Bromo-3-(trifluoromethoxy)aniline|CS-0084328

Structure of 116369-25-6

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General Information

  • CAS No. 116369-25-6
  • Cat. No. CS-0084328
  • Purity ≥97%
  • MDL No. MFCD11506046
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrF₃NO
  • Molecular Weight 256.02
  • Synonym(s) 5-Amino-2-bromo-alpha,alpha,alpha-trifluoroanisole
  • SMILES NC1=CC=C(Br)C(OC(F)(F)F)=C1

Description

4-Bromo-3-(trifluoromethoxy)aniline features a trifluoromethoxy group that enhances electron-withdrawal and metabolic stability, while the bromo substituent enables facile cross-coupling. This aniline derivative integrates readily into pharmaceutical intermediates and functional materials under standard conditions.

Application

4-Bromo-3-(trifluoromethoxy)aniline serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo group and compatible trifluoromethoxy functionality. The molecule exhibits excellent bench stability and facilitates the construction of complex heterocyclic scaffolds and bioactive compounds through standard coupling protocols.

Synthesis

  • Route1

    References

    • Sumitomo Pharmaceuticals Company, Limited Patent: EP1500643 A1, 2005 ; Location in patent: Page 35 ; EP 1500643 A1
  • Route2

    References

    • WO2011/3684 A1, ; Page/Page column 25 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H317
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.25
  • LogP   2.9299
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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