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CS-W001157 4
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4'-Octyloxy-[1,1'-biphenyl]-4-carbonitrile

  • CAS No. 52364-73-5

  • Cat. No. CS-W013963
  • Purity≥98%
  • MDL No.MFCD00075145

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

4'-Octyloxy-[1,1'-biphenyl]-4-carbonitrile|CS-W013963

Structure of 52364-73-5

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General Information

  • CAS No. 52364-73-5
  • Cat. No. CS-W013963
  • Purity ≥98%
  • MDL No. MFCD00075145
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₁H₂₅NO
  • Molecular Weight 307.44
  • Synonym(s) 4'-n-Octyloxy-4-biphenylcarbonitrile
  • SMILES N#CC1=CC=C(C2=CC=C(OCCCCCCCC)C=C2)C=C1

Description

This octyloxy-substituted biphenyl nitrile features a long aliphatic chain that enhances solubility in organic matrices while the terminal nitrile group provides polarity and dipole moment. The para-positioned functional groups create a rigid, planar structure ideal for liquid crystal applications, offering improved thermal stability and alignment properties in anisotropic phases.

Application

4'-Octyloxy-[1,1'-biphenyl]-4-carbonitrile serves as a versatile liquid crystal building block, leveraging its extended alkyl chain and orthogonal functional groups for tailored mesophase behavior. The nitrile group enables strong dipolar interactions, while the octyloxy spacer enhances solubility and modulates phase transition temperatures. This compound facilitates precise control in the design of high-performance LCD materials, offering excellent thermal stability and compatibility with standard synthetic protocols.

Synthesis

  • Route1

    References

    • Kumar, Sandeep; Bisoyi, Hari Krishna; Pal, Santanu Kumar Molecular Crystals and Liquid Crystals, 2008 , vol. 480, # 1 p. 287 - 294
  • Route2
    • 4'-Nitro-[1,1'-biphenyl]-4-carbonitrile|CS-0323607
      31835-63-9
    • ~%
    • In-stock
      4'-Octyloxy-[1,1'-biphenyl]-4-carbonitrile|CS-W013963
      52364-73-5

    References

    • Ruolene, Yu. I.; Adomenas, P. V.; Adomenene, O. K.; Denis, G. I. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, p. 1192 - 1195 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 6 p. 1310 - 1314
  • Route3

    References

    • Ruolene, Yu. I.; Adomenas, P. V.; Adomenene, O. K.; Denis, G. I. Journal of Organic Chemistry USSR (English Translation), 1984 , vol. 20, p. 1192 - 1195 Zhurnal Organicheskoi Khimii, 1984 , vol. 20, # 6 p. 1310 - 1314

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

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   5.96458
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   9

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