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CS-W001157 4
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5-Bromo-2-nitrobenzoic acid

  • CAS No. 6950-43-2

  • Cat. No. CS-W005167
  • Purity≥95%
  • MDL No.MFCD00093013

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

5-Bromo-2-nitrobenzoic acid|CS-W005167

Structure of 6950-43-2

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General Information

  • CAS No. 6950-43-2
  • Cat. No. CS-W005167
  • Purity ≥95%
  • MDL No. MFCD00093013
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrNO₄
  • Molecular Weight 246.01
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(Br)=CC=C1[N+]([O-])=O

Description

5-Bromo-2-nitrobenzoic acid features a bromine substituent at the 5-position and a nitro group at the 2-position, creating a highly electron-deficient aromatic core. This combination enables direct coupling reactions in cross-coupling protocols and facilitates functionalization of biaryl scaffolds under mild conditions. The carboxylic acid moiety provides a handle for derivatization, including amide formation and esterification, streamlining access to complex molecular architectures in medicinal chemistry and materials science.

Synthesis

  • Route1

    References

    • Justus Liebigs Annalen der Chemie, , vol. 149, p. 142 Recueil des Travaux Chimiques des Pays-Bas, , vol. 20, p. 215,225 Justus Liebigs Annalen der Chemie, , vol. 222, p. 115 Justus Liebigs Annalen der Chemie, , vol. 143, p. 241
  • Route2
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      62567-92-4
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    • In-stock
      5-Bromo-2-nitrobenzoic acid|CS-W005167
      6950-43-2

    References

    • Roczniki Chemii, , vol. 50, p. 1841 - 1858
  • Route3

    References

    • Roczniki Chemii, , vol. 50, p. 1841 - 1858

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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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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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