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6-Bromopyridazine-3-carbonitrile

  • CAS No. 1027513-40-1

  • Cat. No. CS-0444824
  • Purity≥95%
  • MDL No.MFCD10688600

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

6-Bromopyridazine-3-carbonitrile|CS-0444824

Structure of 1027513-40-1

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General Information

  • CAS No. 1027513-40-1
  • Cat. No. CS-0444824
  • Purity ≥95%
  • MDL No. MFCD10688600
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂BrN₃
  • Molecular Weight 183.99
  • Synonym(s) 6-Bromo-pyridazine-3-carbonitrile
  • SMILES C1=CC(=NN=C1C#N)Br

Description

6-Bromopyridazine-3-carbonitrile features a bromine substituent at the 6-position and a nitrile group at the 3-position on a pyridazine core. This electron-deficient heterocycle serves as a key intermediate in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions to access complex nitrogen-containing scaffolds under standard conditions.

Application

6-Bromopyridazine-3-carbonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromine and nitrile functionalities. The nitrile group provides a handle for selective functionalization, while the pyridazine core offers favorable electronic properties for heterocyclic scaffold construction. This compound exhibits excellent bench stability and is compatible with standard purification protocols, facilitating efficient integration into complex molecule synthesis.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   1.11078
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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