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CS-W001157 4
Total: USD 88.00

1-(4-Chlorobutyl)-4-fluorobenzene

  • CAS No. 54540-58-8

  • Cat. No. CS-0042392
  • Purity≥98%
  • MDL No.MFCD11935101

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

1-(4-Chlorobutyl)-4-fluorobenzene|CS-0042392

Structure of 54540-58-8

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General Information

  • CAS No. 54540-58-8
  • Cat. No. CS-0042392
  • Purity ≥98%
  • MDL No. MFCD11935101
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂ClF
  • Molecular Weight 186.65
  • Synonym(s) 4-chloro-1-bis-(p-fluorophenyl)butane
  • SMILES FC1=CC=C(CCCCCl)C=C1

Description

1-(4-Chlorobutyl)-4-fluorobenzene features a fluorinated aromatic core paired with a linear chloroalkyl tether, enabling precise spatial control in synthetic transformations. This bifunctional scaffold integrates readily into polymer backbones and serves as a key intermediate for functionalized materials. The molecule exhibits enhanced stability under standard reaction conditions and facilitates efficient coupling reactions via the terminal chloride.

Application

1-(4-Chlorobutyl)-4-fluorobenzene serves as a versatile synthetic building block for constructing functionalized alkyl chains in medicinal chemistry and materials science. The terminal chloro group enables reliable SN2 displacement, while the fluorinated aryl core provides metabolic stability and enhanced lipophilicity. This compound exhibits excellent bench stability and compatibility with standard coupling reactions, facilitating efficient access to complex molecular architectures.

Synthesis

  • Route1
    • In-stock
      1-Bromo-4-chlorobutane|CS-W017647
      6940-78-9
    • null|null
      352-13-6
    • ~75%
    • In-stock
      1-(4-Chlorobutyl)-4-fluorobenzene|CS-0042392
      54540-58-8

    References

    • Journal of the American Chemical Society, , vol. 131, # 28 p. 9756 - 9766
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 19, # 4 p. 461 - 471
  • Route3
    • null|null
      84648-70-4
    • ~%
    • null|null
      74-87-3
    • In-stock
      1-Fluoro-4-pentylbenzene|CS-0323802
      28593-14-8
    • In-stock
      1-(4-Chlorobutyl)-4-fluorobenzene|CS-0042392
      54540-58-8

    References

    • Journal of Organic Chemistry, , vol. 48, # 7 p. 955 - 963

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   3.3872
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   4

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