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CS-W001157 4
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β-Bromo-γ-oxobenzenebutanoic acid

  • CAS No. 53515-22-3

  • Cat. No. CS-0219694
  • Purity≥95%
  • MDL No.None

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

β-Bromo-γ-oxobenzenebutanoic acid|CS-0219694

Structure of 53515-22-3

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General Information

  • CAS No. 53515-22-3
  • Cat. No. CS-0219694
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉BrO₃
  • Molecular Weight 257.08
  • Synonym(s) 3-Bromo-4-oxo-4-phenylbutanoic acid
  • SMILES C1=CC=C(C=C1)C(=O)C(CC(=O)O)Br

Synthesis

  • Route1

    References

    • Journal of Chemical Research, Miniprint, , # 7 p. 1601 - 1614
  • Route2
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      67-66-3
    • null|null
      7726-95-6
    • In-stock
      3-Benzoylpropionic acid|CS-W001943
      2051-95-8
    • ~%
    • β-Bromo-γ-oxobenzenebutanoic acid|CS-0219694
      53515-22-3

    References

    • Justus Liebigs Annalen der Chemie, , vol. 299, p. 18 Chemische Berichte, , vol. 25, p. 2556 Annales de Chimie (Cachan, France), , vol. <8> 15, p. 501 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, , vol. 146, p. 141 Anm.
  • Route3

    References

    • Tsolomiti, Georgia; Tsolomiti, Kyriaki; Tsolomitis, Athanase Heterocyclic Communications, 2007 , vol. 13, # 1 p. 35 - 41

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.1075
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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