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CS-W001157 4
Total: USD 88.00

3-Nitro-4-(phenylamino)benzoic acid

  • CAS No. 16927-49-4

  • Cat. No. CS-0233014
  • Purity≥95%
  • MDL No.None

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

3-Nitro-4-(phenylamino)benzoic acid|CS-0233014

Structure of 16927-49-4

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General Information

  • CAS No. 16927-49-4
  • Cat. No. CS-0233014
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀N₂O₄
  • Molecular Weight 258.23
  • Synonym(s) 4-Anilino-3-nitrobenzoic acid
  • SMILES C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Sumitomo Chemical Company, Limited Patent: EP2436683 A1, 2012 ; Location in patent: Page/Page column 43 ;
  • Route2

    References

    • Lan, Cong; Xia, Zhi-Ning; Li, Zheng-Hua; Liang, Rong-Hui Journal of Chemical Research, 2012 , vol. 36, # 12 p. 726 - 728
  • Route3
    • 4-Chlorobenzoic acid Bezafibrate Impurity|CS-0229800
      74-11-3
    • ~%
    • 3-Nitro-4-(phenylamino)benzoic acid|CS-0233014
      16927-49-4

    References

    • Asian Journal of Chemistry, , vol. 23, # 4 p. 1569 - 1572

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H303-H315-H319-H335-H413
Precautionary Statements : P261-P264-P271-P273-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   92.47
  • LogP   3.0366
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   4

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