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CS-W001157 4
Total: USD 88.00

Ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate

  • CAS No. 57961-48-5

  • Cat. No. CS-0453861
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate|CS-0453861

Structure of 57961-48-5

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General Information

  • CAS No. 57961-48-5
  • Cat. No. CS-0453861
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁ClO₄
  • Molecular Weight 254.67
  • Synonym(s) Ethyl 3-chloro-a,g-dioxo-benzenebutanoate
  • SMILES CCOC(=O)C(=O)CC(=O)C1=CC(=CC=C1)Cl

Synthesis

  • Route1
    • null|null
      95-92-1
    • null|null
      99-02-5
    • ~68%
    • Ethyl 4-(3-chlorophenyl)-2,4-dioxobutanoate|CS-0453861
      57961-48-5

    References

    • AstraZeneca AB; NPS PHARMACEUTICALS, INC. Patent: US2007/259895 A1, 2007 ; Location in patent: Page/Page column 9 ; US 20070259895 A1

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   2.045
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   5

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