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CS-W001157 4
Total: USD 88.00

4-Bromo-1-isopropyl-1H-pyrazole

  • CAS No. 313735-62-5

  • Cat. No. CS-W003647
  • Purity≥98%
  • MDL No.MFCD09801021

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

4-Bromo-1-isopropyl-1H-pyrazole|CS-W003647

Structure of 313735-62-5

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General Information

  • CAS No. 313735-62-5
  • Cat. No. CS-W003647
  • Purity ≥98%
  • MDL No. MFCD09801021
  • Storage RT, stored under nitrogen, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉BrN₂
  • Molecular Weight 189.05
  • Synonym(s) 4-bromo-1-(propan-2-yl)-1H-pyrazole
  • SMILES CC(n1ncc(c1)Br)C

Description

4-Bromo-1-isopropyl-1H-pyrazole is a bench-stable, moisture-tolerant heterocyclic building block featuring a brominated pyrazole core with a sterically hindered isopropyl substituent. This combination enables efficient late-stage functionalization in cross-coupling reactions and facilitates the construction of complex nitrogen-containing scaffolds for medicinal chemistry applications.

Application

4-Bromo-1-isopropyl-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo functionality. The isopropyl group enhances solubility and steric profile, improving handling and compatibility in standard synthetic workflows. Its defined regiochemistry supports reliable heterocycle functionalization for API development.

Safety Information

Download SDS
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

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   2.2265
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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