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CS-W001157 4
Total: USD 88.00

4-Ethylbenzonitrile

  • CAS No. 25309-65-3

  • Cat. No. CS-0152514
  • Purity≥98%
  • MDL No.MFCD00016383

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

4-Ethylbenzonitrile|CS-0152514

Structure of 25309-65-3

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General Information

  • CAS No. 25309-65-3
  • Cat. No. CS-0152514
  • Purity ≥98%
  • MDL No. MFCD00016383
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉N
  • Molecular Weight 131.17
  • Synonym(s) None
  • SMILES N#CC1=CC=C(CC)C=C1

Description

4-Ethylbenzonitrile features a para-substituted benzene ring bearing an ethyl group and a nitrile moiety, delivering enhanced solubility and stability in organic synthesis. This electron-deficient aromatic scaffold serves as a key building block for pharmaceutical intermediates and functional materials.

Application

4-Ethylbenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic systems. Its nitrile group facilitates nucleophilic addition, reduction to primary amines, or conversion to carboxylic acids and amides under standard conditions. The ethyl substituent provides steric and electronic modulation, enhancing compatibility with Pd-catalyzed cross-coupling reactions. Bench-stable and readily purified by distillation or recrystallization, it functions effectively in the synthesis of pharmaceutical intermediates and agrochemical scaffolds.

Synthesis

  • Route1
    • In-stock
      4-Chlorobenzonitrile|CS-W018544
      623-03-0
    • null|null
      2386-64-3
    • ~83%
    • In-stock
      4-Ethylbenzonitrile|CS-0152514
      25309-65-3

    References

    • Venkanna, Gopaladasu T.; Tammineni, Swetha; Arman, Hadi D.; Tonzetich, Zachary J. Organometallics, 2013 , vol. 32, # 16 p. 4656 - 4663
  • Route2
    • 4-Ethylbenzamide|CS-0318058
      33695-58-8
    • ~79%
    • In-stock
      4-Ethylbenzonitrile|CS-0152514
      25309-65-3

    References

    • Wagner, Peter J.; Wang, Lingling Organic Letters, 2006 , vol. 8, # 4 p. 645 - 647
  • Route3
    • null|null
      104-85-8
    • null|null
      74-88-4
    • ~76%
    • In-stock
      4-Ethylbenzonitrile|CS-0152514
      25309-65-3

    References

    • Weyerstahl, Peter; Schlicht, Volker Liebigs Annales, 1997 , # 1 p. 175 - 177

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   23.79
  • LogP   2.12068
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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