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2-Bromo-1-(4-hydroxy-3-methoxyphenyl)ethan-1-one

  • CAS No. 69638-06-8

  • Cat. No. CS-0549962
  • Molecule weight245.07
  • Purity≥98%
  • MDL No.None

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

2-Bromo-1-(4-hydroxy-3-methoxyphenyl)ethan-1-one|CS-0549962

Structure of 69638-06-8

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General Information

  • CAS No. 69638-06-8
  • Cat. No. CS-0549962
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO₃
  • Molecular Weight 245.07
  • Synonym(s) 2-Bromo-1-(4-hydroxy-3-methoxyphenyl)ethanone
  • SMILES COC1=CC(C(CBr)=O)=CC=C1O

Synthesis

  • Route1

    References

    • Kishimoto, Takao; Uraki, Yasumitsu; Ubukata, Makoto Organic and Biomolecular Chemistry, 2005 , vol. 3, # 6 p. 1067 - 1073
  • Route2
    • Guaiacol Guaifenesin Impurity|CS-0229801
      90-05-1
    • null|null
      598-21-0
    • ~%
    • 2-Bromo-1-(4-hydroxy-3-methoxyphenyl)ethan-1-one|CS-0549962
      69638-06-8

    References

    • Riegel; Wittcoff Journal of the American Chemical Society, 1946 , vol. 68, p. 1913,1916
  • Route3

    References

    • Hamade, Eva; Habib, Aida; Hachem, Ali; Hussein, Alaa H.; Abbas, Malak; Hirz, Taghreed; Al Masri, Mirvat; Faour, Wissam H. Medicinal Chemistry, 2012 , vol. 8, # 3 p. 401 - 408

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.9784
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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