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CS-W001157 4
Total: USD 88.00

2-(2-Nitroethylidene)aminobenzoic acid

  • CAS No. 121845-92-9

  • Cat. No. CS-M2022
  • Molecule weight208.17
  • Purity≥95%
  • MDL No.None

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

2-(2-Nitroethylidene)aminobenzoic acid|CS-M2022

Structure of 121845-92-9

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General Information

  • CAS No. 121845-92-9
  • Cat. No. CS-M2022
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₄
  • Molecular Weight 208.17
  • Synonym(s) 2-(2-nitroethylideneamino)benzoic Acid
  • SMILES O=C(O)C1=CC=CC=C1/N=C/C[N+]([O-])=O

Synthesis

  • Route1
    • null|null
      5653-21-4
    • null|null
      118-92-3
    • ~%
    • 2-(2-Nitroethylidene)aminobenzoic acid|CS-M2022
      121845-92-9

    References

    • DE347375 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 14, p. 521
  • Route2
    • null|null
      118-92-3
    • ~64%
    • 2-(2-Nitroethylidene)aminobenzoic acid|CS-M2022
      121845-92-9

    References

    • Nicholson, John R.; Singh, Gurdial; McCullough, Kevin J.; Wightman, Richard H. Tetrahedron, 1989 , vol. 45, # 3 p. 889 - 908
  • Route3
    • null|null
      5653-21-4
    • null|null
      2099-63-0
    • ~89%
    • 2-(2-Nitroethylidene)aminobenzoic acid|CS-M2022
      121845-92-9

    References

    • Goeblyoes, Aniko; Gao, Zhan-Guo; Brussee, Johannes; Connestari, Roberto; Santiago, Sabrina Neves; Ye, Kai; Ijzerman, Adriaan P.; Jacobson, Kenneth A. Journal of Medicinal Chemistry, 2006 , vol. 49, # 11 p. 3354 - 3361

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   92.8
  • LogP   1.3638
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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