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CS-W001157 4
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1,3-Dibromo-5-(trifluoromethoxy)benzene

  • CAS No. 207226-31-1

  • Cat. No. CS-W023172
  • Purity≥96%
  • MDL No.MFCD00075280

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

1,3-Dibromo-5-(trifluoromethoxy)benzene|CS-W023172

Structure of 207226-31-1

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General Information

  • CAS No. 207226-31-1
  • Cat. No. CS-W023172
  • Purity ≥96%
  • MDL No. MFCD00075280
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃Br₂F₃O
  • Molecular Weight None
  • Synonym(s) 1,3-Dibromo-5-trifluoromethoxybenzene; 3,5-dibromo trifluoromethoxybenzene
  • SMILES FC(F)(F)OC1=CC(Br)=CC(Br)=C1

Description

1,3-Dibromo-5-(trifluoromethoxy)benzene features a highly electron-deficient aromatic core with two bromine substituents flanking a trifluoromethoxy group, enabling efficient coupling in cross-coupling reactions. The molecule exhibits enhanced stability and solubility in polar organic solvents, facilitating use in synthetic workflows requiring precise functional group placement.

Application

1,3-Dibromo-5-(trifluoromethoxy)benzene serves as a versatile building block for constructing electron-deficient aromatic scaffolds in medicinal chemistry and materials science. The bromine substituents enable palladium-catalyzed cross-coupling reactions, while the trifluoromethoxy group imparts enhanced metabolic stability and lipophilicity. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for iterative synthesis of complex heterocycles and functionalized arenes.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   4.1102
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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