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CS-W001157 4
Total: USD 88.00

3-Chloro-2-nitrobenzoic acid

  • CAS No. 4771-47-5

  • Cat. No. CS-W002020
  • Purity≥98%
  • MDL No.MFCD00007087

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

3-Chloro-2-nitrobenzoic acid|CS-W002020

Structure of 4771-47-5

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General Information

  • CAS No. 4771-47-5
  • Cat. No. CS-W002020
  • Purity ≥98%
  • MDL No. MFCD00007087
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClNO₄
  • Molecular Weight 201.56
  • Synonym(s) 3-CHOLORO-2-NITROBNZOIC ACID; 3-Chloro-2-nitrobenzoic acid
  • SMILES O=C(O)C1=CC=CC(Cl)=C1[N+]([O-])=O

Description

Hydrogen-bonded structures of isomeric compounds of 3-chloro-2-nitrobenzoic acid with quinoline have been investigated.3-Chloro-2-nitrobenzoic acid has been used in the preparation of:2-amino-3-chlorobenzonitrile3-chloro-2-nitrobenzaldehyde

Synthesis

  • Route1

    References

    • Huebner; Ulrich Justus Liebigs Annalen der Chemie, 1884 , vol. 222, p. 95 Full Text Show Details Holleman; de Bruyn Recueil des Travaux Chimiques des Pays-Bas, 1901 , vol. 20, p. 215,225
  • Route2

    References

    • Dong, Kui-Kui; Zhou, Hua-Hong; Guo, A-Rong; Chen, Tian; Wang, Yu-Liang Asian Journal of Chemistry, 2013 , vol. 25, # 2 p. 1039 - 1042
  • Route3
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    • In-stock
      3-Chloro-2-nitrobenzoic acid|CS-W002020
      4771-47-5

    References

    • Umio,S. et al. Chemical and Pharmaceutical Bulletin, 1969 , vol. 17, p. 596 - 604

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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