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CS-W001157 4
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3-Bromo-5-(trifluoromethyl)-1H-pyrazole

  • CAS No. 93608-11-8

  • Cat. No. CS-0042419
  • Purity≥97%
  • MDL No.None

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

3-Bromo-5-(trifluoromethyl)-1H-pyrazole|CS-0042419

Structure of 93608-11-8

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General Information

  • CAS No. 93608-11-8
  • Cat. No. CS-0042419
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂BrF₃N₂
  • Molecular Weight 214.97
  • Synonym(s) 5-BroMo-3-(trifluoroMethyl)-1H-pyrazole
  • SMILES FC(C1=CC(Br)=NN1)(F)F

Description

3-Bromo-5-(trifluoromethyl)-1H-pyrazole features a bromine atom at the 3-position and a trifluoromethyl group at the 5-position, conferring high electron deficiency and enhanced metabolic stability. This scaffold integrates readily into medicinal chemistry libraries, serving as a key building block for bioactive heterocycles in agrochemical and pharmaceutical development.

Application

3-Bromo-5-(trifluoromethyl)-1H-pyrazole serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo functionality. The trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the pyrazole core provides a rigid, hydrogen-bond-capable scaffold. Its bench-stable nature and compatibility with diverse reaction conditions facilitate efficient incorporation into complex molecular architectures.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   2.191
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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