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CS-W001157 4
Total: USD 88.00

4-Bromo-2-(carboxymethyl)benzoic acid

  • CAS No. 943749-63-1

  • Cat. No. CS-0208608
  • Purity≥97%
  • MDL No.MFCD11226943

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

4-Bromo-2-(carboxymethyl)benzoic acid|CS-0208608

Structure of 943749-63-1

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General Information

  • CAS No. 943749-63-1
  • Cat. No. CS-0208608
  • Purity ≥97%
  • MDL No. MFCD11226943
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇BrO₄
  • Molecular Weight 259.05
  • Synonym(s) Benzeneacetic acid,5-bromo-2-carboxy
  • SMILES C1=C(C=C(CC(=O)O)C(=C1)C(=O)O)Br

Synthesis

  • Route1

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2008/122765 A1, 2008 ; Location in patent: Page/Page column 101 ; WO 2008/122765 A1
  • Route2
    • Diethyl 4-bromophthalate|CS-0664323
      38568-41-1
    • ~%
    • 4-Bromo-2-(carboxymethyl)benzoic acid|CS-0208608
      943749-63-1

    References

    • HEFFERNAN, Michele, L., R.; HARDY, Larry, Wendell; WU, Frank, Xinhe; SARASWAT, Lakshmi, D.; SPEAR, Kerry, L. Patent: WO2012/170845 A2, 2012 ; Location in patent: Page/Page column 88 ; WO 2012/170845 A2
  • Route3

    References

    • Tsou, Hwei-Ru; Otteng, Mercy; Tran, Tritin; Floyd Jr., M. Brawner; Reich, Marvin; Birnberg, Gary; Kutterer, Kristina; Ayral-Kaloustian, Semiramis; Ravi, Malini; Nilakantan, Ramaswamy; Grillo, Mary; McGinnis, John P.; Rabindran, Sridhar K. Journal of Medicinal Chemistry, 2008 , vol. 51, # 12 p. 3507 - 3525

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   74.6
  • LogP   1.7744
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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