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3-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole

  • CAS No. 1849251-81-5

  • Cat. No. CS-0521027
  • Molecule weight211.01
  • Purity≥97%
  • MDL No.None

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

3-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole|CS-0521027

Structure of 1849251-81-5

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General Information

  • CAS No. 1849251-81-5
  • Cat. No. CS-0521027
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅BrF₂N₂
  • Molecular Weight 211.01
  • Synonym(s) None
  • SMILES FC(F)CN1N=C(Br)C=C1

Description

This pyrazole derivative features a bromine substituent at the 3-position and a 2,2-difluoroethyl group at the 1-position, creating a sterically hindered, electron-deficient heterocyclic scaffold. The difluoroethyl moiety enhances metabolic stability and modulates lipophilicity, while the bromine enables downstream cross-coupling transformations. This compound serves as a valuable building block in medicinal chemistry for constructing fluorinated pharmacophores.

Application

3-Bromo-1-(2,2-difluoroethyl)-1H-pyrazole serves as a versatile building block for medicinal chemistry and agrochemical synthesis, enabling efficient C–H functionalization and cross-coupling reactions. The bromine atom facilitates palladium-catalyzed coupling, while the 2,2-difluoroethyl group imparts metabolic stability and modulates lipophilicity. Its bench-stable, crystalline nature supports straightforward handling and purification, making it ideal for iterative scaffold elaboration in target-directed synthesis.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   1.9107
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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