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CS-W001157 4
Total: USD 88.00

2-Bromo-5-(trifluoromethyl)aniline

  • CAS No. 454-79-5

  • Cat. No. CS-W001184
  • Purity≥98%
  • MDL No.MFCD00007637

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

2-Bromo-5-(trifluoromethyl)aniline|CS-W001184

Structure of 454-79-5

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General Information

  • CAS No. 454-79-5
  • Cat. No. CS-W001184
  • Purity ≥98%
  • MDL No. MFCD00007637
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrF₃N
  • Molecular Weight 240.02
  • Synonym(s) Benzenamine, 2-bromo-5-(trifluoromethyl)-
  • SMILES Brc1ccc(cc1N)C(F)(F)F

Description

2-Bromo-5-(trifluoromethyl)aniline was used in the synthesis and biochemical evaluation of series of inhibitors of hepatitis C virus (HCV) NS3 protease.

Application

2-Bromo-5-(trifluoromethyl)aniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions such as Suzuki and Buchwald-Hartwig couplings. Its trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the bromo substituent provides a reliable handle for further functionalization. The compound exhibits good bench stability and is readily purified by recrystallization or column chromatography, making it well-suited for scalable, reproducible synthetic workflows.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3267
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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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