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CS-W001157 4
Total: USD 88.00

3,5-Dibromo-1H-pyrazole-4-carbonitrile

  • CAS No. 1703808-53-0

  • Cat. No. CS-0146477
  • Molecule weight250.88
  • Purity≥97%
  • MDL No.None

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

3,5-Dibromo-1H-pyrazole-4-carbonitrile|CS-0146477

Structure of 1703808-53-0

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General Information

  • CAS No. 1703808-53-0
  • Cat. No. CS-0146477
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄HBr₂N₃
  • Molecular Weight 250.88
  • Synonym(s) 3,5-dibromo-4-cyanopyrazole
  • SMILES N#CC1=C(Br)NN=C1Br

Description

3,5-Dibromo-1H-pyrazole-4-carbonitrile features a rigid pyrazole core bearing two bromine substituents at positions 3 and 5, flanking a nitrile group at C4. This electron-deficient scaffold enables direct incorporation into cross-coupling reactions, serving as a building block for bioactive heterocycles and functional materials.

Application

3,5-Dibromo-1H-pyrazole-4-carbonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to functionalized pyrazole scaffolds. The molecule combines bromine sites for Pd-catalyzed cross-coupling and a nitrile group amenable to hydrolysis or nucleophilic addition, offering orthogonal reactivity. Its bench-stable nature and compatibility with standard reaction conditions facilitate straightforward 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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   52.47
  • LogP   1.80638
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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