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CS-W001157 4
Total: USD 88.00

1-Chloro-4-ethylbenzene

  • CAS No. 622-98-0

  • Cat. No. CS-0152511
  • Purity≥98%
  • MDL No.MFCD00040855

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

1-Chloro-4-ethylbenzene|CS-0152511

Structure of 622-98-0

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General Information

  • CAS No. 622-98-0
  • Cat. No. CS-0152511
  • Purity ≥98%
  • MDL No. MFCD00040855
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉Cl
  • Molecular Weight 140.61
  • Synonym(s) p-Ethylchlorobenzene
  • SMILES CCC1=CC=C(C=C1)Cl

Description

1-Chloro-4-ethylbenzene is a bench-stable aromatic halide featuring an ethyl group para to the chlorine substituent. This configuration enhances solubility in organic solvents and provides predictable reactivity in palladium-catalyzed cross-coupling processes. The molecule serves as a robust building block for synthesizing functionalized arenes in pharmaceutical and materials chemistry workflows.

Application

1-Chloro-4-ethylbenzene serves as a versatile aryl halide building block in cross-coupling reactions, enabling efficient construction of biaryl architectures under standard Suzuki-Miyaura and Stille conditions. The ethyl group provides mild steric and electronic modulation, enhancing solubility and stability during reaction setup. Bench-stable and readily purified by distillation or column chromatography, it functions reliably in synthetic workflows requiring ortho-directed functionalization or heterocycle integration.

Synthesis

  • Route1

    References

    • Advanced Synthesis and Catalysis, , vol. 354, # 4 p. 663 - 669
  • Route2
    • null|null
      99-91-2
    • ~96%
    • In-stock
      1-Chloro-4-ethylbenzene|CS-0152511
      622-98-0

    References

    • Synthesis, , # 8 p. 736 - 738
  • Route3
    • In-stock
      1-Chloro-4-vinylbenzene,98% (stabilized with TBC)|CS-W013324
      1073-67-2
    • null|null
      201230-82-2
    • ~%
    • In-stock
      1-Chloro-4-ethylbenzene|CS-0152511
      622-98-0
    • null|null
      286964-62-3
    • null|null
      75677-02-0

    References

    • Journal of Organometallic Chemistry, , vol. 696, # 10 p. 2234 - 2237

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07,GHS09
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H302-H411
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P270-P273-P280-P330-P370+P378-P391-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.9024
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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