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CS-W001157 4
Total: USD 88.00

4-N-Pentylphenylacetylene

  • CAS No. 79887-10-8

  • Cat. No. CS-W017589
  • Molecule weight172.27
  • Purity≥98%
  • MDL No.MFCD00173884

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

4-N-Pentylphenylacetylene|CS-W017589

Structure of 79887-10-8

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General Information

  • CAS No. 79887-10-8
  • Cat. No. CS-W017589
  • Purity ≥98%
  • MDL No. MFCD00173884
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆
  • Molecular Weight 172.27
  • Synonym(s) 4-Pentylphenylacetylene
  • SMILES C#CC1=CC=C(CCCCC)C=C1

Description

4-N-Pentylphenylacetylene features a linear alkyl chain appended to a phenylacetylene core, delivering enhanced solubility and processability in organic media. This structural design supports efficient incorporation into conjugated materials for optoelectronic applications, where extended π-systems enable tailored charge transport properties.

Application

4-N-Pentylphenylacetylene serves as a versatile building block in synthetic organic chemistry, enabling efficient access to conjugated π-systems and functionalized aryl alkynes. Its terminal alkyne functionality facilitates reliable copper-catalyzed coupling reactions, while the linear pentyl chain enhances solubility and modulates solid-state packing—beneficial for materials synthesis and process-scale applications.

Synthesis

  • Route1
    • null|null
      284044-50-4
    • ~%
    • In-stock
      4-N-Pentylphenylacetylene|CS-W017589
      79887-10-8

    References

    • Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, , vol. 250, p. 303 - 314
  • Route2
    • 4-Pentylbenzaldehyde|CS-0319573
      6853-57-2
    • ~%
    • In-stock
      4-N-Pentylphenylacetylene|CS-W017589
      79887-10-8

    References

    • Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, , vol. 250, p. 303 - 314

Safety Information

Download SDS
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   0
  • LogP   3.4006
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   4

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