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CS-W001157 4
Total: USD 88.00

4-Methylbiphenyl

  • CAS No. 644-08-6

  • Cat. No. CS-W017793
  • Purity≥98%
  • MDL No.MFCD00008544

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

4-Methylbiphenyl|CS-W017793

Structure of 644-08-6

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General Information

  • CAS No. 644-08-6
  • Cat. No. CS-W017793
  • Purity ≥98%
  • MDL No. MFCD00008544
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂
  • Molecular Weight 168.24
  • Synonym(s) 4-Phenyltoluene
  • SMILES CC1=CC=C(C2=CC=CC=C2)C=C1

Description

4-Methylbiphenyl serves as a valuable building block in organic synthesis, particularly for constructing conjugated systems and functional materials. This bench-stable, electron-rich aromatic compound features a para-methyl substituent that enhances solubility and modulates electronic properties. Its robust structure withstands standard reaction conditions, enabling straightforward incorporation into complex molecular architectures.

Application

4-Methylbiphenyl serves as a valuable building block in synthetic organic chemistry, offering enhanced stability and solubility compared to unsubstituted biphenyl. Its methyl group facilitates electrophilic substitution at the para-position and enables straightforward functionalization via palladium-catalyzed coupling reactions. The molecule functions effectively in the construction of advanced heterocyclic scaffolds and conjugated materials, with excellent bench stability and compatibility in standard reaction conditions.

Synthesis

  • Route1
    • In-stock
      1-Iodo-4-methylbenzene|CS-W009210
      624-31-7
    • null|null
      960-16-7
    • ~92%
    • In-stock
      4-Methylbiphenyl|CS-W017793
      644-08-6

    References

    • Handy, Scott T.; Zhang, Xiaolei Organic Letters, 2001 , vol. 3, # 2 p. 233 - 236
  • Route2

    References

    • Khan, Sadaf Sadiq; Liebscher, Juergen Synthesis, 2010 , # 15 art. no. T02910SS, p. 2609 - 2615
  • Route3

    References

    • Hu, Feng; Lei, Xiangyang Tetrahedron, 2014 , vol. 70, # 25 p. 3854 - 3858

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   3.66202
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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