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CS-W001157 4
Total: USD 88.00

4-((3,4-dichlorophenyl)amino)-4-oxobut-2-enoic acid

  • CAS No. 54012-56-5

  • Cat. No. CS-0363224
  • Molecule weight260.07
  • Purity≥98%
  • MDL No.MFCD00756719

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

4-((3,4-dichlorophenyl)amino)-4-oxobut-2-enoic acid|CS-0363224

Structure of 54012-56-5

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General Information

  • CAS No. 54012-56-5
  • Cat. No. CS-0363224
  • Purity ≥98%
  • MDL No. MFCD00756719
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇Cl₂NO₃
  • Molecular Weight 260.07
  • Synonym(s) None
  • SMILES O=C(O)/C=C/C(NC1=CC=C(Cl)C(Cl)=C1)=O

Synthesis

  • Route1
    • null|null
      108-31-6
    • null|null
      95-76-1
    • ~%
    • 4-((3,4-dichlorophenyl)amino)-4-oxobut-2-enoic acid|CS-0363224
      54012-56-5

    References

    • Budke, Brian; Kalin, Jay H.; Pawlowski, Michal; Zelivianskaia, Anna S.; Wu, Megan; Kozikowski, Alan P.; Connell, Philip P. Journal of Medicinal Chemistry, 2013 , vol. 56, # 1 p. 254 - 263

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319
Precautionary Statements : P264-P280-P305+P351+P338

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   2.5727
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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