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CS-W001157 4
Total: USD 88.00

4-Bromo-1H-pyrazole-5-carbonitrile

  • CAS No. 288246-16-2

  • Cat. No. CS-W019842
  • Purity≥98%
  • MDL No.MFCD06245535

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

4-Bromo-1H-pyrazole-5-carbonitrile|CS-W019842

Structure of 288246-16-2

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General Information

  • CAS No. 288246-16-2
  • Cat. No. CS-W019842
  • Purity ≥98%
  • MDL No. MFCD06245535
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂BrN₃
  • Molecular Weight 171.98
  • Synonym(s) 4-Bromo-2H-pyrazole-3-carbonitrile
  • SMILES N#CC1=NNC=C1Br

Description

4-Bromo-1H-pyrazole-5-carbonitrile is a heterocyclic building block featuring a bromine substituent and a nitrile group at adjacent ring positions. This combination enables direct functionalization in cross-coupling reactions and facilitates incorporation into bioactive scaffolds. The molecule exhibits robust stability under standard conditions, supporting its use in synthetic medicinal chemistry and materials development.

Application

4-Bromo-1H-pyrazole-5-carbonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its stable bromo and nitrile functionalities. The molecule exhibits excellent bench stability, facilitates straightforward purification, and functions as a key scaffold for constructing heterocyclic compounds via orthogonal transformations.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-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   1.04388
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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