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CS-W001157 4
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2,4,6-Tri(9H-carbazol-9-yl)-5-chloroisophthalonitrile

  • CAS No. 1469704-61-7

  • Cat. No. CS-0105654
  • Purity≥97%
  • MDL No.None

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

2,4,6-Tri(9H-carbazol-9-yl)-5-chloroisophthalonitrile|CS-0105654

Structure of 1469704-61-7

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General Information

  • CAS No. 1469704-61-7
  • Cat. No. CS-0105654
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄₄H₂₄ClN₅
  • Molecular Weight 658.15
  • Synonym(s) None
  • SMILES N#CC1=C(N2C3=C(C4=C2C=CC=C4)C=CC=C3)C(Cl)=C(N5C6=C(C7=C5C=CC=C7)C=CC=C6)C(C#N)=C1N8C9=C(C%10=C8C=CC=C%10)C=CC=C9

Application

2,4,6-Tri(9H-carbazol-9-yl)-5-chloroisophthalonitrile serves as a versatile multi-functional building block for the synthesis of advanced organic semiconductors and emissive materials. The tri-carbazolyl substitution enhances charge transport properties, while the chloro and nitrile groups enable further functionalization via palladium-catalyzed cross-coupling and nucleophilic addition reactions. Its bench-stable crystalline nature facilitates handling and purification, making it well-suited for modular construction of π-conjugated architectures in OLED and small-molecule photovoltaic applications.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   62.37
  • LogP   11.3747
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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