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CS-W001157 4
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3-Bromo-5-methoxybenzoic acid

  • CAS No. 157893-14-6

  • Cat. No. CS-W007621
  • Purity≥97%
  • MDL No.MFCD00266858

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

3-Bromo-5-methoxybenzoic acid|CS-W007621

Structure of 157893-14-6

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General Information

  • CAS No. 157893-14-6
  • Cat. No. CS-W007621
  • Purity ≥97%
  • MDL No. MFCD00266858
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrO₃
  • Molecular Weight 231.04
  • Synonym(s) benzoic acid, 3-bromo-5-methoxy-
  • SMILES O=C(O)C1=CC(OC)=CC(Br)=C1

Synthesis

  • Route1

    References

    • GLAXO GROUP LIMITED Patent: WO2009/100169 A1, 2009 ; Location in patent: Page/Page column 131 ; WO 2009/100169 A1
  • Route2

    References

    • Marchais-Oberwinkler, Sandrine; Krachten, Patricia; Frotscher, Martin; Ziegler, Erika; Neugebauer, Alexander; Bhoga, Umadevi; Bey, Emmanuel; Mueller-Vieira, Ursula; Messinger, Josef; Thole, Hubert; Hartmann, Rolf W. Journal of Medicinal Chemistry, 2008 , vol. 51, # 15 p. 4685 - 4698
  • Route3
    • In-stock
      2-Amino-5-bromo-3-(methyloxy)benzoic acid|CS-B1043
      864293-44-7
    • null|null
      6303-21-5
    • ~62%
    • In-stock
      3-Bromo-5-methoxybenzoic acid|CS-W007621
      157893-14-6

    References

    • Glaxo Group Limited Patent: US2009/203657 A1, 2009 ; Location in patent: Page/Page column 50 ; US 20090203657 A1

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

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.1559
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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