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CS-W001157 4
Total: USD 88.00

1-(4-Bromophenyl)-1,3-butanedione

  • CAS No. 4023-81-8

  • Cat. No. CS-0095768
  • Molecule weight241.08
  • Purity≥97%
  • MDL No.None

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

1-(4-Bromophenyl)-1,3-butanedione|CS-0095768

Structure of 4023-81-8

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General Information

  • CAS No. 4023-81-8
  • Cat. No. CS-0095768
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉BrO₂
  • Molecular Weight 241.08
  • Synonym(s) 4-(4-bromophenyl)-4-hydroxybut-3-en-2-one
  • SMILES CC(CC(C1=CC=C(Br)C=C1)=O)=O

Synthesis

  • Route1

    References

    • Hollick, Jonathan J.; Rigoreau, Laurent J. M.; Cano-Soumillac, Celine; Cockcroft, Xiaoling; Curtin, Nicola J.; Frigerio, Mark; Golding, Bernard T.; Guiard, Sophie; Hardcastle, Ian R.; Hickson, Ian; Hummersone, Marc G.; Menear, Keith A.; Martin, Niall M. B.; Matthews, Ian; Newell, David R.; Ord, Rachel; Richardson, Caroline J.; Smith, Graeme C. M.; Griffin, Roger J. Journal of Medicinal Chemistry, 2007 , vol. 50, # 8 p. 1958 - 1972
  • Route2

    References

    • Popic; Korneev; Nikolaev; Korobitsyna Synthesis, 1991 , # 3 p. 195 - 198
  • Route3
    • 4-Bromobenzoyl cyanide|CS-0063864
      6048-21-1
    • null|null
      67-64-1
    • ~92%
    • In-stock
      1-(4-Bromophenyl)-1,3-butanedione|CS-0095768
      4023-81-8

    References

    • Shen, Zongxuan; Li, Bin; Wang, Lu; Zhang, Yawen Tetrahedron Letters, 2005 , vol. 46, # 50 p. 8785 - 8788

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+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.6109
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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