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CS-W001157 4
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1-Bromo-2-(difluoromethyl)benzene

  • CAS No. 845866-82-2

  • Cat. No. CS-W000083
  • Purity≥98%
  • MDL No.MFCD06657962

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

1-Bromo-2-(difluoromethyl)benzene|CS-W000083

Structure of 845866-82-2

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General Information

  • CAS No. 845866-82-2
  • Cat. No. CS-W000083
  • Purity ≥98%
  • MDL No. MFCD06657962
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrF₂
  • Molecular Weight 207.02
  • Synonym(s) 2-Bromobenzal fluoride
  • SMILES BrC1=CC=CC=C1C(F)F

Description

1-Bromo-2-(difluoromethyl)benzene features a strategically positioned difluoromethyl group adjacent to a reactive bromide, enabling direct functionalization in cross-coupling reactions. This electron-deficient aryl halide combines enhanced stability with high reactivity, facilitating efficient incorporation into complex molecular architectures.

Application

1-Bromo-2-(difluoromethyl)benzene serves as a versatile building block for the synthesis of fluorinated aromatic compounds. The bromine atom enables palladium-catalyzed cross-coupling reactions, while the difluoromethyl group imparts enhanced metabolic stability and modulates electronic properties. This compound exhibits good bench stability and compatibility with standard functional group transformations, facilitating efficient access to bioactive scaffolds in medicinal chemistry and materials science.

Synthesis

  • Route1

    References

    • SIRTRIS PHARMACEUTICALS, INC.; OALMANN, Christopher; PERNI, Robert, B.; VU, Chi, B. Patent: WO2010/37127 A1, 2010 ; Location in patent: Page/Page column 104 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.3867
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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