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CS-W001157 4
Total: USD 88.00

2-Bromo-6-(trifluoromethyl)phenol

  • CAS No. 2844-05-5

  • Cat. No. CS-0098775
  • Molecule weight241.01
  • Purity≥96%
  • MDL No.MFCD13194490

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

2-Bromo-6-(trifluoromethyl)phenol|CS-0098775

Structure of 2844-05-5

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General Information

  • CAS No. 2844-05-5
  • Cat. No. CS-0098775
  • Purity ≥96%
  • MDL No. MFCD13194490
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrF₃O
  • Molecular Weight 241.01
  • Synonym(s) PHENOL,2-BROMO-6-(TRIFLUOROMETHYL)
  • SMILES OC1=C(C=CC=C1Br)C(F)(F)F

Description

2-Bromo-6-(trifluoromethyl)phenol features a strategically positioned trifluoromethyl group that enhances electron-withdrawal and metabolic stability, while the bromine substituent enables direct functionalization in cross-coupling reactions. This phenolic scaffold serves as a key building block for bioactive molecules and advanced materials.

Application

2-Bromo-6-(trifluoromethyl)phenol serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Stille couplings. Its bromine substituent provides high reactivity under standard conditions, while the trifluoromethyl group enhances metabolic stability and lipophilicity. The compound exhibits good bench stability and facilitates efficient functionalization in multi-step syntheses.

Synthesis

  • Route1
    • In-stock
      2-(Trifluoromethyl)phenol|CS-W016125
      444-30-4
    • 2,4-Dibromo-6-trifluoromethylphenol|CS-0191584
      392-92-7
    • null|null
      598-30-1
    • ~%
    • In-stock
      2-Bromo-6-(trifluoromethyl)phenol|CS-0098775
      2844-05-5

    References

    • US4982006 A1, ;

Safety Information

Download SDS
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

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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