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CS-W001157 4
Total: USD 88.00

4-Chloro-3-nitrobenzoic acid

  • CAS No. 96-99-1

  • Cat. No. CS-0010078
  • Purity≥98%
  • MDL No.MFCD00007079

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

4-Chloro-3-nitrobenzoic acid|CS-0010078

Structure of 96-99-1

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General Information

  • CAS No. 96-99-1
  • Cat. No. CS-0010078
  • Purity ≥98%
  • MDL No. MFCD00007079
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClNO₄
  • Molecular Weight 201.56
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(Cl)C([N+]([O-])=O)=C1

Description

N,N'-Dimethylethylenediamine is used in DNA binding effect. It is used to enhance the adsorption of carbon dioxide. It acts as a ligand and form coordination complex such as dinitrato(N,N'-dimethyl-1,2-ethanediamine)copper(II) and dichloro(1,4-bis-(diphenyl phosphino)butane)-(1,2-ethylenediamine)ruthenium(II).

Application

4-Chloro-3-nitrobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the aromatic ring via nucleophilic substitution or transition-metal-catalyzed coupling. The ortho-nitro and para-chloro groups provide orthogonal reactivity for sequential derivatization, while the carboxylic acid facilitates salt formation and conjugation. Its bench-stable crystalline form enables straightforward handling, purification, and integration into multi-step syntheses of bioactive heterocycles and API intermediates.

Synthesis

  • Route1
    • 4-Chlorobenzoic acid Bezafibrate Impurity|CS-0229800
      74-11-3
    • ~94%
    • In-stock
      4-Chloro-3-nitrobenzoic acid|CS-0010078
      96-99-1

    References

    • Bayer Aktiengesellschaft Patent: US4036838 A1, 1977 ;
  • Route2
    • null|null
      38818-50-7
    • ~%
    • In-stock
      4-Chloro-3-nitrobenzoic acid|CS-0010078
      96-99-1

    References

    • Journal of the Chemical Society, , p. 1672,1676
  • Route3
    • null|null
      84314-04-5
    • ~%
    • null|null
      141-82-2
    • In-stock
      4-Chloro-3-nitrobenzoic acid|CS-0010078
      96-99-1

    References

    • Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, , vol. 41, # 10 p. 2153 - 2159

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   80.44
  • LogP   1.9464
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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