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5-Acetamido-2-bromobenzoic acid

  • CAS No. 22921-67-1

  • Cat. No. CS-0207294
  • Molecule weight258.07
  • Purity≥98%
  • MDL No.MFCD00040902

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

5-Acetamido-2-bromobenzoic acid|CS-0207294

Structure of 22921-67-1

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General Information

  • CAS No. 22921-67-1
  • Cat. No. CS-0207294
  • Purity ≥98%
  • MDL No. MFCD00040902
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrNO₃
  • Molecular Weight 258.07
  • Synonym(s) 5-(acetylamino)-2-bromobenzoic acid
  • SMILES CC(NC1=CC(C(O)=O)=C(Br)C=C1)=O

Synthesis

  • Route1

    References

    • Santen Pharmaceutical Co., Ltd.; Kudou, Kazuhiro; Yamamoto, Noriyoshi; Ban, Masakazu; Ohno, Atsushi Patent: US2013/310576 A1, 2013 ; Location in patent: Paragraph 0155 ;
  • Route2

    References

    • Boehringer Ingelheim Pharmaceuticals, Inc. Patent: US6506769 B2, 2003 ; US 6506769 B2
  • Route3
    • 4'-Bromo-3'-methylacetanilide98%|CS-0204465
      90914-81-1
    • ~%
    • 5-Acetamido-2-bromobenzoic acid|CS-0207294
      22921-67-1

    References

    • Chemische Berichte, , vol. 57, p. 2086

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   2.1057
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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