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2-Chloro-3-carboxynitrobenzene Mesalazine Impurity

  • CAS No. 3970-35-2

  • Cat. No. CS-0229164
  • Molecule weight201.56
  • Purity≥98%
  • MDL No.MFCD00007069

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

2-Chloro-3-carboxynitrobenzene Mesalazine  Impurity|CS-0229164

Structure of 3970-35-2

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General Information

  • CAS No. 3970-35-2
  • Cat. No. CS-0229164
  • Purity ≥98%
  • MDL No. MFCD00007069
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄ClNO₄
  • Molecular Weight 201.56
  • Synonym(s) 2-chloro-3-nitrobenzoate
  • SMILES O=C(O)C1=CC=CC(=C1Cl)N(=O)=O

Synthesis

  • Route1

    References

    • Pfizer Inc Patent: US2005/20626 A1, 2005 ; Location in patent: Page 17-18 ; US 20050020626 A1
  • Route2

    References

    • Pressman et al. Journal of the American Chemical Society, 1954 , vol. 76, p. 6336,6337
  • Route3

    References

    • Montagne Recueil des Travaux Chimiques des Pays-Bas, 1900 , vol. 19, p. 55 Full Text Show Details Holleman; de Bruyn Recueil des Travaux Chimiques des Pays-Bas, 1901 , vol. 20, p. 215,225 Full Text Show Details Huebner Justus Liebigs Annalen der Chemie, 1884 , vol. 222, p. 195

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H317-H319
Precautionary Statements : P261-P264-P272-P280-P302+P352-P363-P501

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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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