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CS-W001157 4
Total: USD 88.00

3-Bromo-4-(trifluoromethoxy)aniline

  • CAS No. 191602-54-7

  • Cat. No. CS-W010182
  • Purity≥96%
  • MDL No.MFCD00190127

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

3-Bromo-4-(trifluoromethoxy)aniline|CS-W010182

Structure of 191602-54-7

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General Information

  • CAS No. 191602-54-7
  • Cat. No. CS-W010182
  • Purity ≥96%
  • MDL No. MFCD00190127
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrF₃NO
  • Molecular Weight 256.02
  • Synonym(s) 3-bromo-4-trifluoromethoxy-aniline
  • SMILES BrC1=C(C=CC(=C1)N)OC(F)(F)F

Description

3-Bromo-4-(trifluoromethoxy)aniline features a trifluoromethoxy group that enhances electron-withdrawing character and metabolic stability. The bromo substituent enables facile cross-coupling reactions, while the aniline scaffold provides a handle for conjugation. This compound serves as a key intermediate in pharmaceutical synthesis and functional material design under standard conditions.

Application

3-Bromo-4-(trifluoromethoxy)aniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its bromo substituent. The trifluoromethoxy group imparts enhanced metabolic stability and lipophilicity, while the aniline functionality supports further derivatization via acylation, diazotization, or electrophilic substitution. Its bench-stable, crystalline form facilitates handling and purification in multi-step syntheses.

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

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