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CS-W001157 4
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3-Bromo-4-nitro-1H-pyrazole

  • CAS No. 784193-37-9

  • Cat. No. CS-W018651
  • Purity≥95%
  • MDL No.MFCD19441764

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

3-Bromo-4-nitro-1H-pyrazole|CS-W018651

Structure of 784193-37-9

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General Information

  • CAS No. 784193-37-9
  • Cat. No. CS-W018651
  • Purity ≥95%
  • MDL No. MFCD19441764
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₂BrN₃O₂
  • Molecular Weight 191.97
  • Synonym(s) 5-bromo-4-nitro-1h-pyrazole
  • SMILES O=[N+](C1=CNN=C1Br)[O-]

Description

3-Bromo-4-nitro-1H-pyrazole features a bromine atom at the 3-position and a nitro group at the 4-position on a pyrazole core, enabling direct functionalization in cross-coupling reactions. This electron-deficient heterocycle integrates readily into pharmaceutical scaffolds and serves as a key building block for bioactive molecules.

Application

3-Bromo-4-nitro-1H-pyrazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-defined bromine handle. The nitro group at C4 enhances electrophilicity and supports subsequent functionalization via reduction or substitution. Its stability under standard reaction conditions and compatibility with diverse synthetic transformations make it a practical choice for constructing substituted pyrazole scaffolds in 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   71.82
  • LogP   1.0804
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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