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CS-W001157 4
Total: USD 88.00

1-(2-Bromoethyl)-3-(trifluoromethyl)benzene

  • CAS No. 1997-80-4

  • Cat. No. CS-0077587
  • Purity≥95%
  • MDL No.MFCD03092900

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

1-(2-Bromoethyl)-3-(trifluoromethyl)benzene|CS-0077587

Structure of 1997-80-4

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General Information

  • CAS No. 1997-80-4
  • Cat. No. CS-0077587
  • Purity ≥95%
  • MDL No. MFCD03092900
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrF₃
  • Molecular Weight 253.06
  • Synonym(s) 3-(Trifluoromethyl)phenethyl Bromide
  • SMILES BrCCC1=CC=CC(C(F)(F)F)=C1

Description

This trifluoromethyl-substituted aryl bromide features a reactive bromoethyl chain for downstream functionalization. The electron-withdrawing trifluoromethyl group enhances electrophilicity and improves stability under standard conditions. Ideal for coupling reactions in synthetic organic chemistry and materials science applications.

Application

1-(2-Bromoethyl)-3-(trifluoromethyl)benzene serves as a versatile bifunctional building block in medicinal chemistry and materials science. The bromoethyl group enables palladium-catalyzed coupling reactions, while the trifluoromethylphenyl moiety imparts enhanced metabolic stability and lipophilicity. This compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for modular synthesis of complex scaffolds and functionalized polymers.

Synthesis

  • Route1

    References

    • Caldirola, P.; Zandberg, P.; Mannhold, R.; Timmerman, H. European Journal of Medicinal Chemistry, 1993 , vol. 28, # 7-8 p. 555 - 568
  • Route2

    References

    • Lambert,J.B. et al. Journal of the American Chemical Society, 1977 , vol. 99, # 9 p. 3059 - 3067
  • Route3

    References

    • Lambert,J.B. et al. Journal of the American Chemical Society, 1977 , vol. 99, # 9 p. 3059 - 3067

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.6428
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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