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CS-W001157 4
Total: USD 88.00

2,4,5,6-Tetrakis(diphenylamino)isophthalonitrile

  • CAS No. 1846598-27-3

  • Cat. No. CS-0161533
  • Purity≥96%
  • MDL No.None

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

2,4,5,6-Tetrakis(diphenylamino)isophthalonitrile|CS-0161533

Structure of 1846598-27-3

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General Information

  • CAS No. 1846598-27-3
  • Cat. No. CS-0161533
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅₆H₄₀N₆
  • Molecular Weight 796.96
  • Synonym(s) None
  • SMILES N#CC1=C(N(C2=CC=CC=C2)C3=CC=CC=C3)C(N(C4=CC=CC=C4)C5=CC=CC=C5)=C(N(C6=CC=CC=C6)C7=CC=CC=C7)C(C#N)=C1N(C8=CC=CC=C8)C9=CC=CC=C9

Description

2,4,5,6-Tetrakis(diphenylamino)isophthalonitrile features a rigid central isophthalonitrile core flanked by four diphenylamino groups, delivering exceptional electron-donating capacity and enhanced solubility in organic media. This configuration supports high thermal stability and facilitates use in conjugated materials for optoelectronic applications.

Application

2,4,5,6-Tetrakis(diphenylamino)isophthalonitrile serves as a versatile building block in organic synthesis, enabling the construction of electron-rich scaffolds through standard coupling reactions. Its four diphenylamino groups confer strong donor character and enhanced solubility, while the nitrile functionalities support downstream transformations such as amidation or hydrolysis. The molecule exhibits high bench stability and facilitates purification via column chromatography, making it well-suited for applications in materials chemistry and the development of functionalized heterocycles.

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

Quality Control

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Computational Chemistry Data

  • TPSA   60.54
  • LogP   15.3092
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   12

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