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CS-W001157 4
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4,4'-(Buta-1,3-diyne-1,4-diyl)dianiline

  • CAS No. 30405-78-8

  • Cat. No. CS-0168052
  • Purity≥95%
  • MDL No.None

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

4,4'-(Buta-1,3-diyne-1,4-diyl)dianiline|CS-0168052

Structure of 30405-78-8

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General Information

  • CAS No. 30405-78-8
  • Cat. No. CS-0168052
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₂N₂
  • Molecular Weight 232.28
  • Synonym(s) 4-[4-(4-AMINOPHENYL)BUTA-1,3-DIYN-1-YL]ANILINE
  • SMILES NC1=CC=C(C#CC#CC2=CC=C(N)C=C2)C=C1

Description

4,4'-(Buta-1,3-diyne-1,4-diyl)dianiline features a rigid, linear diyne spacer linking two aniline moieties, enabling efficient π-conjugation. This structure supports applications in conjugated materials and molecular electronics, where extended delocalization enhances charge transport. The molecule exhibits stability under standard handling conditions and integrates readily into multi-component synthetic sequences.

Application

4,4'-(Buta-1,3-diyne-1,4-diyl)dianiline serves as a versatile building block for conjugated systems, enabling efficient access to extended π-electron architectures via palladium-catalyzed coupling reactions. Its dual aniline functionalities exhibit excellent stability and compatibility with standard functional group transformations, facilitating the synthesis of advanced materials and heterocyclic scaffolds. The alkyne spacer provides rigidity and defined spacing, enhancing electronic communication in optoelectronic 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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   52.04
  • LogP   2.2542
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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