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CS-W001157 4
Total: USD 88.00

3-Bromo-5-nitrobenzoic acid

  • CAS No. 6307-83-1

  • Cat. No. CS-W002370
  • Purity≥96%
  • MDL No.MFCD00100098

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

3-Bromo-5-nitrobenzoic acid|CS-W002370

Structure of 6307-83-1

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General Information

  • CAS No. 6307-83-1
  • Cat. No. CS-W002370
  • Purity ≥96%
  • MDL No. MFCD00100098
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrNO₄
  • Molecular Weight 246.02
  • Synonym(s) 3-bromo-5-nitrobenzoate
  • SMILES Brc1cc(cc(c1)C(=O)O)[N+](=O)[O-]

Description

An antihistamine and also an inhibitor of serotonin reuptake

Synthesis

  • Route1
    • 3-Amino-5-nitrobenzoic acid|CS-0128390
      618-84-8
    • ~90%
    • In-stock
      3-Bromo-5-nitrobenzoic acid|CS-W002370
      6307-83-1

    References

    • GLAXO GROUP LIMITED Patent: WO2004/50619 A1, 2004 ; Location in patent: Page 18 ; WO 2004/050619 A1
  • Route2

    References

    • Mori, Mattia; Vignaroli, Giulia; Cau, Ylenia; Dinic, Jelena; Hill, Richard; Rossi, Matteo; Colecchia, David; Pesic, Milica; Link, Wolfgang; Chiariello, Mario; Ottmann, Christian; Botta, Maurizio ChemMedChem, 2014 , vol. 9, # 5 p. 973 - 983
  • Route3

    References

    • WO2004/24682 A2, ; Page 15-16 ; WO 2004/024682 A2

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   80.44
  • LogP   2.0555
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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