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Methyl 5-bromo-2,3-dihydroxybenzoate

  • CAS No. 105603-49-4

  • Cat. No. CS-0150899
  • Molecule weight247.04
  • Purity≥97%
  • MDL No.MFCD01412199

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

Methyl 5-bromo-2,3-dihydroxybenzoate|CS-0150899

Structure of 105603-49-4

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General Information

  • CAS No. 105603-49-4
  • Cat. No. CS-0150899
  • Purity ≥97%
  • MDL No. MFCD01412199
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrO₄
  • Molecular Weight 247.04
  • Synonym(s) 5-Bromo-2,3-dihydroxybenzoic Acid Methyl Ester
  • SMILES COC(=O)C1=C(C(=CC(=C1)Br)O)O

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      5-Bromo-2,3-dihydroxybenzoic acid|CS-0326538
      72517-15-8
    • ~85%
    • In-stock
      Methyl 5-bromo-2,3-dihydroxybenzoate|CS-0150899
      105603-49-4

    References

    • Yee, Nathan K.; Nummy, Larry J.; Roth, Gregory P. Bioorganic and Medicinal Chemistry Letters, 1996 , vol. 6, # 19 p. 2279 - 2280
  • Route2

    References

    • Ellermann, Manuel; Paulini, Ralph; Jakob-Roetne, Roland; Lerner, Christian; Borroni, Edilio; Roth, Doris; Ehler, Andreas; Schweizer, W. Bernd; Schlatter, Daniel; Rudolph, Markus G.; Diederich, Francois Chemistry - A European Journal, 2011 , vol. 17, # 23 p. 6369 - 6381

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   66.76
  • LogP   1.6469
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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