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CS-W001157 4
Total: USD 88.00

4-Bromo-2-(trifluoromethyl)phenol

  • CAS No. 50824-04-9

  • Cat. No. CS-W008236
  • Purity≥95%
  • MDL No.MFCD05668981

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

4-Bromo-2-(trifluoromethyl)phenol|CS-W008236

Structure of 50824-04-9

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General Information

  • CAS No. 50824-04-9
  • Cat. No. CS-W008236
  • Purity ≥95%
  • MDL No. MFCD05668981
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrF₃O
  • Molecular Weight 241.01
  • Synonym(s) 5-Bromo-2-hydroxyBenzotrifluoride
  • SMILES C1=C(C=CC(=C1C(F)(F)F)O)Br

Description

4-Bromo-2-(trifluoromethyl)phenol features a trifluoromethyl group ortho to a phenolic hydroxyl, enhancing electron-withdrawal and metabolic stability. The bromine substituent at the para position enables direct functionalization via palladium-catalyzed coupling. This combination delivers high reactivity in cross-coupling and electrophilic substitution reactions.

Application

4-Bromo-2-(trifluoromethyl)phenol serves as a versatile building block in medicinal chemistry and materials science, enabling efficient access to functionalized aromatic systems. Its bromine and phenolic hydroxyl groups provide orthogonal reactivity for palladium-catalyzed cross-couplings and electrophilic substitutions. The trifluoromethyl group enhances metabolic stability and lipophilicity, making this scaffold valuable for drug discovery. Bench-stable and readily purified by recrystallization, it functions effectively in standard synthetic workflows.

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   3.1735
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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