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9H-Carbazole-3-carbonitrile

  • CAS No. 57102-93-9

  • Cat. No. CS-0187295
  • Purity≥95%
  • MDL No.MFCD00454925

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

9H-Carbazole-3-carbonitrile|CS-0187295

Structure of 57102-93-9

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General Information

  • CAS No. 57102-93-9
  • Cat. No. CS-0187295
  • Purity ≥95%
  • MDL No. MFCD00454925
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈N₂
  • Molecular Weight None
  • Synonym(s) carbazole-3-carbonitrile
  • SMILES C1=CC=C2C(=C1)C3=C(C=CC(=C3)C#N)N2

Description

9H-Carbazole-3-carbonitrile features a rigid, electron-rich carbazole core paired with a strategically positioned nitrile group, enabling strong π-conjugation and enhanced intermolecular interactions. This configuration supports efficient charge transport and facilitates incorporation into organic semiconductors, OLEDs, and functional materials requiring high thermal stability and defined electronic properties under standard conditions.

Application

9H-Carbazole-3-carbonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds through palladium-catalyzed coupling reactions. The nitrile group provides a handle for selective functionalization, while the carbazole core offers inherent stability and π-conjugation, making it valuable in materials science and medicinal chemistry applications. Its bench-stable nature and compatibility with standard reaction conditions facilitate straightforward incorporation into complex molecular architectures.

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-H332-H312
Precautionary Statements : P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P341-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P363-P501

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Computational Chemistry Data

  • TPSA   39.58
  • LogP   3.19278
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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