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CS-W001157 4
Total: USD 88.00

Ethyl 4-chlorobenzoate

  • CAS No. 7335-27-5

  • Cat. No. CS-W016987
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD00013645

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

Ethyl 4-chlorobenzoate|CS-W016987

Structure of 7335-27-5

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General Information

  • CAS No. 7335-27-5
  • Cat. No. CS-W016987
  • Purity ≥98%
  • MDL No. MFCD00013645
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClO₂
  • Molecular Weight None
  • Synonym(s) 4-Chlorobenzoic Acid Ethyl Ester
  • SMILES O=C(OCC)C1=CC=C(Cl)C=C1

Description

Ethyl 4-chlorobenzoate serves as a key intermediate in synthetic organic chemistry, featuring a chlorine-substituted aromatic ring that enhances electrophilic reactivity. This ester integrates readily into coupling reactions and provides a stable platform for further functionalization under standard conditions.

Application

Ethyl 4-chlorobenzoate serves as a versatile building block in synthetic organic chemistry, enabling efficient access to substituted benzoic acid derivatives and heterocyclic scaffolds. Its chloro substituent provides a handle for palladium-catalyzed cross-coupling reactions, while the ester group allows for selective reduction or hydrolysis under mild conditions. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses targeting pharmaceutical intermediates and agrochemicals.

Synthesis

  • Route1
    • null|null
      64-17-5
    • In-stock
      4-Chlorobenzaldehyde|CS-W008778
      104-88-1
    • ~81%
    • In-stock
      Ethyl 4-chlorobenzoate|CS-W016987
      7335-27-5

    References

    • Heropoulos, Georgios A.; Villalonga-Barber, Carolina Tetrahedron Letters, 2011 , vol. 52, # 41 p. 5319 - 5322
  • Route2
    • null|null
      64-17-5
    • 4-Chlorobenzoic acid Bezafibrate Impurity|CS-0229800
      74-11-3
    • ~99%
    • In-stock
      Ethyl 4-chlorobenzoate|CS-W016987
      7335-27-5

    References

    • Bala, Suman; Uppal, Goldie; Kamboj, Sunil; Saini, Vipin; Prasad Medicinal Chemistry Research, 2013 , vol. 22, # 6 p. 2755 - 2767
  • Route3
    • In-stock
      1-Bromo-4-chlorobenzene|CS-0015927
      106-39-8
    • null|null
      109-94-4
    • ~77%
    • In-stock
      Ethyl 4-chlorobenzoate|CS-W016987
      7335-27-5

    References

    • Ushijima, Sousuke; Moriyama, Katsuhiko; Togo, Hideo Tetrahedron, 2012 , vol. 68, # 24 p. 4701 - 4709

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: 3082
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302-H401-H411
Precautionary Statements : P264-P270-P273-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.5167
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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