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CS-W001157 4
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4,4',4'',4'''-Methanetetrayltetrabenzonitrile

  • CAS No. 121706-21-6

  • Cat. No. CS-0110613
  • Purity≥97%
  • MDL No.None

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

4,4',4'',4'''-Methanetetrayltetrabenzonitrile|CS-0110613

Structure of 121706-21-6

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General Information

  • CAS No. 121706-21-6
  • Cat. No. CS-0110613
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₉H₁₆N₄
  • Molecular Weight 420.46
  • Synonym(s) Tetrakis(4-cyanophenyl)methane
  • SMILES N#CC1=CC=C(C=C1)C(C2=CC=C(C#N)C=C2)(C3=CC=C(C#N)C=C3)C4=CC=C(C#N)C=C4

Description

4,4',4'',4'''-Methanetetrayltetrabenzonitrile features a rigid, symmetric core with four nitrile groups positioned at the periphery. This electron-deficient architecture enables robust coordination in supramolecular systems and enhances solubility in aromatic solvents. The molecule's planar geometry supports π–π stacking interactions, making it valuable for constructing ordered organic frameworks and functional materials.

Application

4,4',4'',4'''-Methanetetrayltetrabenzonitrile serves as a rigid, tetravalent scaffold for constructing extended π-conjugated systems and molecular architectures. Its four nitrile groups enable versatile functionalization via nucleophilic addition or metal-catalyzed coupling, while the central methanetetrayl core provides exceptional thermal and oxidative stability. The compound facilitates the synthesis of high-symmetry frameworks for materials science applications, including organic semiconductors and coordination polymers, with predictable reactivity and straightforward purification.

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   95.16
  • LogP   5.55602
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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