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CS-W001157 4
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4,4',4''-(Benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzaldehyde

  • CAS No. 2289758-98-9

  • Cat. No. CS-0111191
  • Purity≥97%
  • MDL No.MFCD32667055

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

4,4',4''-(Benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzaldehyde|CS-0111191

Structure of 2289758-98-9

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General Information

  • CAS No. 2289758-98-9
  • Cat. No. CS-0111191
  • Purity ≥97%
  • MDL No. MFCD32667055
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₃H₁₈O₃
  • Molecular Weight 462.49
  • Synonym(s) None
  • SMILES O=CC(C=C1)=CC=C1C#CC2=CC(C#CC3=CC=C(C=O)C=C3)=CC(C#CC4=CC=C(C=O)C=C4)=C2

Description

This trialdehyde features three benzaldehyde groups linked via rigid ethynyl spacers to a central benzene core, enabling precise spatial arrangement for multidentate coordination. The extended conjugation enhances electronic communication across the molecule, supporting applications in supramolecular assembly and molecular scaffold design.

Application

4,4',4''-(Benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzaldehyde serves as a versatile tri-functional building block for the construction of complex aromatic scaffolds. Its three aldehyde groups enable efficient imine formation and multistep condensation reactions, while the rigid central benzene core and ethynylene linkages provide structural stability and extended π-conjugation. The molecule exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for applications in molecular architecture, materials chemistry, and the synthesis of macrocyclic or dendritic frameworks.

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   51.21
  • LogP   5.3235
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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