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CS-W001157 4
Total: USD 88.00

1-Ethyl-4-fluorobenzene

  • CAS No. 459-47-2

  • Cat. No. CS-0207142
  • Molecule weight124.16
  • Purity≥98%
  • MDL No.MFCD00039218

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

1-Ethyl-4-fluorobenzene|CS-0207142

Structure of 459-47-2

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General Information

  • CAS No. 459-47-2
  • Cat. No. CS-0207142
  • Purity ≥98%
  • MDL No. MFCD00039218
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉F
  • Molecular Weight 124.16
  • Synonym(s) p-Fluoroethylbenzene
  • SMILES CCC1=CC=C(C=C1)F

Description

1-Ethyl-4-fluorobenzene is a bench-stable, electron-deficient aromatic compound featuring a para-fluoro substituent and an ethyl group. This configuration enables selective functionalization in cross-coupling reactions and provides enhanced solubility in organic solvents compared to unsubstituted analogs.

Application

1-Ethyl-4-fluorobenzene serves as a versatile aryl fluorine building block in medicinal chemistry and materials science. Its fluorinated aromatic core exhibits enhanced metabolic stability and favorable lipophilicity, while the ethyl substituent provides a handle for further functionalization via standard coupling reactions. The molecule demonstrates excellent bench stability, ease of purification, and compatibility with common reaction conditions, enabling efficient access to complex heterocyclic scaffolds and API intermediates.

Synthesis

  • Route1

    References

    • Polshettiwar, Vivek; Nadagouda, Mallikarjuna N.; Varma, Rajender S. Chemical Communications, 2008 , # 47 p. 6318 - 6320
  • Route2
    • null|null
      405-99-2
    • ~99%
    • In-stock
      1-Ethyl-4-fluorobenzene|CS-0207142
      459-47-2

    References

    • Gaertner, Dominik; Welther, Alice; Rad, Babak Rezaei; Wolf, Robert; Von Wangelin, Axel Jacobi Angewandte Chemie - International Edition, 2014 , vol. 53, # 14 p. 3722 - 3726 Angew. Chem., 2014 , vol. 126, # 14 p. 3796 - 3800,5
  • Route3
    • In-stock
      2-(4-Fluorobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|CS-W019272
      243145-83-7
    • null|null
      74-88-4
    • ~83%
    • In-stock
      1-Ethyl-4-fluorobenzene|CS-0207142
      459-47-2

    References

    • Koyama, Hiroko; Zhang, Zhouen; Ijuin, Ryosuke; Siqin; Son, Jeongwan; Hatta, Yuma; Ohta, Masashi; Wakao, Masahiro; Hosoya, Takamitsu; Doi, Hisashi; Suzuki, Masaaki RSC Advances, 2013 , vol. 3, # 24 p. 9391 - 9401

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.3881
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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