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CS-W001157 4
Total: USD 88.00

N-(3-Bromophenyl)-3-oxobutanamide

  • CAS No. 61579-06-4

  • Cat. No. CS-0144022
  • Molecule weight256.10
  • Purity≥97%
  • MDL No.None

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

N-(3-Bromophenyl)-3-oxobutanamide|CS-0144022

Structure of 61579-06-4

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General Information

  • CAS No. 61579-06-4
  • Cat. No. CS-0144022
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀BrNO₂
  • Molecular Weight 256.10
  • Synonym(s) N-(3-bromophenyl)-3-oxo-butanamide
  • SMILES CC(CC(NC1=CC=CC(Br)=C1)=O)=O

Synthesis

  • Route1
    • null|null
      591-19-5
    • ~47%
    • N-(3-Bromophenyl)-3-oxobutanamide|CS-0144022
      61579-06-4

    References

    • Burroughs Wellcome Co. Patent: US4587341 A1, 1986 ;
  • Route2

    References

    • Wlodarczyk, Nicolas; Simenel, Catherine; Delepierre, Muriel; Barale, Jean-Christophe; Janin, Yves L. Synthesis, 2011 , # 6 art. no. T51110SS, p. 934 - 942
  • Route3

    References

    • Jaggavarapu, Satyanarayana Reddy; Kamalakaran, Anand Solomon; Jalli, Ventkata Prasad; Gangisetty, Sravan Kumar; Ganesh, Munusswamy Ramanujam; Gaddamanugu, Gopikrishna Journal of Chemical Sciences, 2014 , vol. 126, # 1 p. 187 - 195

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.17
  • LogP   2.3667
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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