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CS-W001157 4
Total: USD 88.00

1-Bromo-4-(1,1-difluoroethyl)benzene

  • CAS No. 1000994-95-5

  • Cat. No. CS-W007309
  • Purity≥97%
  • MDL No.MFCD11110333

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

1-Bromo-4-(1,1-difluoroethyl)benzene|CS-W007309

Structure of 1000994-95-5

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General Information

  • CAS No. 1000994-95-5
  • Cat. No. CS-W007309
  • Purity ≥97%
  • MDL No. MFCD11110333
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrF₂
  • Molecular Weight 221.04
  • Synonym(s) 4-Bromo-alpha,alpha-difluoroethylbenzene
  • SMILES CC(F)(F)C1=CC=C(Br)C=C1

Application

1-Bromo-4-(1,1-difluoroethyl)benzene serves as a versatile aryl halide building block for palladium-catalyzed cross-coupling reactions. The 1,1-difluoroethyl group imparts enhanced metabolic stability and lipophilicity, making it valuable in medicinal chemistry applications. Its bench-stable nature and compatibility with standard coupling conditions facilitate efficient synthesis of fluorinated biaryl scaffolds.

Synthesis

  • Route1

    References

    • BAYER PHARMA AKTIENGESELLSCHAFT Patent: US2012/172448 A1, 2012 ; Location in patent: Page/Page column 34 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H227-H301-H315-H319
Precautionary Statements : P210-P264-P270-P280-P302+P352-P330-P362-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.5608
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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