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CS-W001157 4
Total: USD 88.00

3-Bromo-4-(trifluoromethyl)aniline

  • CAS No. 172215-91-7

  • Cat. No. CS-W006101
  • Purity≥97%
  • MDL No.None

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

3-Bromo-4-(trifluoromethyl)aniline|CS-W006101

Structure of 172215-91-7

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General Information

  • CAS No. 172215-91-7
  • Cat. No. CS-W006101
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrF₃N
  • Molecular Weight 240.02
  • Synonym(s) 3-bromo-4-trifluoromethylaniline
  • SMILES NC1=CC=C(C(F)(F)F)C(Br)=C1

Description

3-Bromo-4-(trifluoromethyl)aniline features a strategically positioned trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the bromo substituent enables facile cross-coupling reactions. This compound serves as a key building block in the synthesis of functionalized arylamines for pharmaceutical and agrochemical applications.

Application

3-Bromo-4-(trifluoromethyl)aniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions such as Suzuki, Stille, and Buchwald-Hartwig arylations. The bromo group facilitates efficient functionalization, while the trifluoromethyl moiety enhances metabolic stability and lipophilicity. Bench-stable and readily purified by recrystallization or column chromatography, it functions reliably in multi-step syntheses of complex heterocyclic scaffolds and pharmaceutical intermediates.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H315-H320-H335
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   3.0501
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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