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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 76767-44-7

  • Cat. No. CS-0156135
  • Purity≥98%
  • MDL No.None

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

5-Bromo-1-phenyl-1H-pyrazole-4-carbonitrile|CS-0156135

Structure of 76767-44-7

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General Information

  • CAS No. 76767-44-7
  • Cat. No. CS-0156135
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₆BrN₃
  • Molecular Weight 248.08
  • Synonym(s) None
  • SMILES C1=CC=C(C=C1)N2C(=C(C#N)C=N2)Br

Description

5-Bromo-1-phenyl-1H-pyrazole-4-carbonitrile features a brominated pyrazole core paired with a phenyl substituent and a nitrile group at the 4-position, delivering enhanced reactivity in cross-coupling processes. This electron-deficient heterocycle enables efficient diversification in medicinal chemistry and materials science applications.

Application

5-Bromo-1-phenyl-1H-pyrazole-4-carbonitrile serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromo and nitrile functionalities. The molecule exhibits bench stability, facilitates straightforward purification, and functions as a key intermediate in the construction of heterocyclic scaffolds relevant to pharmaceutical development.

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 : H315-H319-H335
Precautionary Statements : P261-P302+P352

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   2.50648
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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