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CS-W001157 4
Total: USD 88.00

1-(2,6-Dichlorophenyl)ethanone

  • CAS No. 2040-05-3

  • Cat. No. CS-W008361
  • Purity≥95%
  • MDL No.None

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

1-(2,6-Dichlorophenyl)ethanone|CS-W008361

Structure of 2040-05-3

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General Information

  • CAS No. 2040-05-3
  • Cat. No. CS-W008361
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆Cl₂O
  • Molecular Weight 189.04
  • Synonym(s) 2',6'-Dichloroacetophenone
  • SMILES CC(C1=C(Cl)C=CC=C1Cl)=O

Description

1-(2,6-Dichlorophenyl)ethanone features a benzoyl core substituted with two chlorine atoms at the 2- and 6-positions, imparting enhanced electrophilicity and stability. This electron-deficient aryl ketone integrates readily into C–C bond-forming reactions, serving as a key building block in synthetic routes to pharmaceutical intermediates and agrochemicals under standard conditions.

Application

1-(2,6-Dichlorophenyl)ethanone serves as a versatile building block in medicinal chemistry, enabling efficient construction of biologically relevant aryl ketones. Its stability under standard reaction conditions and compatibility with common functional groups facilitate downstream transformations such as nucleophilic additions, reductions, and coupling reactions. The ortho-dichloro substitution pattern enhances metabolic stability and modulates lipophilicity, making it a practical scaffold for lead optimization in API development.

Synthesis

  • Route1
    • null|null
      20082-66-0
    • null|null
      75-36-5
    • ~91%
    • In-stock
      1-(2,6-Dichlorophenyl)ethanone|CS-W008361
      2040-05-3

    References

    • Tetrahedron, , vol. 49, # 47 p. 10843 - 10854
  • Route2
    • null|null
      541-73-1
    • ~%
    • In-stock
      1-(2,6-Dichlorophenyl)ethanone|CS-W008361
      2040-05-3

    References

    • Tetrahedron, , vol. 49, # 47 p. 10843 - 10854
  • Route3

    References

    • Chemische Berichte, , vol. 70, p. 916,923

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.196
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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