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2-Chloro-3-nitrobenzamide

  • CAS No. 117054-76-9

  • Cat. No. CS-0005847
  • Purity≥98%
  • MDL No.MFCD00482025

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

2-Chloro-3-nitrobenzamide|CS-0005847

Structure of 117054-76-9

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General Information

  • CAS No. 117054-76-9
  • Cat. No. CS-0005847
  • Purity ≥98%
  • MDL No. MFCD00482025
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅ClN₂O₃
  • Molecular Weight 200.58
  • Synonym(s) None
  • SMILES ClC1=C(C(N)=O)C=CC=C1[N+]([O-])=O

Synthesis

  • Route1
    • 2-Chloro-3-carboxynitrobenzene Mesalazine  Impurity|CS-0229164
      3970-35-2
    • ~99%
    • 2-Chloro-3-nitrobenzamide|CS-0005847
      117054-76-9

    References

    • Warner-Lambert Company Patent: US6344459 B1, 2002 ; Location in patent: Page column 68 ; US 6344459 B1
  • Route2
    • null|null
      34128-16-0
    • ~%
    • 2-Chloro-3-nitrobenzamide|CS-0005847
      117054-76-9

    References

    • Showalter, H. D. Hollis; Bridges, Alexander J.; Zhou, Hairong; Sercel, Anthony D.; McMichael, Amy; Fry, David W. Journal of Medicinal Chemistry, 1999 , vol. 42, # 26 p. 5464 - 5474

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   86.23
  • LogP   1.3471
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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