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Benzenamine, 2-bromo-4-nitro-5-(trifluoromethyl)-

  • CAS No. 1190198-31-2

  • Cat. No. CS-0030455
  • Purity≥97%
  • MDL No.None

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

Benzenamine, 2-bromo-4-nitro-5-(trifluoromethyl)-|CS-0030455

Structure of 1190198-31-2

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General Information

  • CAS No. 1190198-31-2
  • Cat. No. CS-0030455
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrF₃N₂O₂
  • Molecular Weight 285.02
  • Synonym(s) None
  • SMILES NC1=CC(C(F)(F)F)=C([N+]([O-])=O)C=C1Br

Description

2-Bromo-4-nitro-5-(trifluoromethyl)aniline features a trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the bromo and nitro substituents enable direct functionalization in cross-coupling and nitro reduction workflows. This aryl amine serves as a key intermediate for pharmaceuticals and agrochemicals requiring halogenated, electron-deficient aromatic scaffolds under standard conditions.

Application

2-Bromo-4-nitro-5-(trifluoromethyl)aniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its compatible bromo and nitro functionalities. The trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the aniline scaffold facilitates downstream functionalization. Its bench-stable crystalline form enables straightforward handling and purification, making it well-suited for modular synthesis of complex heterocyclic systems and targeted API candidates.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   2.9583
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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