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CS-W001157 4
Total: USD 88.00

5-Nitro-2-(phenylamino)benzoic acid

  • CAS No. 16927-50-7

  • Cat. No. CS-0233483
  • Purity95+%
  • MDL No.None

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

5-Nitro-2-(phenylamino)benzoic acid|CS-0233483

Structure of 16927-50-7

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General Information

  • CAS No. 16927-50-7
  • Cat. No. CS-0233483
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₀N₂O₄
  • Molecular Weight 258.23
  • Synonym(s) 2-Anilino-5-nitrobenzoic acid
  • SMILES O=C(O)C1=CC([N+]([O-])=O)=CC=C1NC2=CC=CC=C2

Synthesis

  • Route1

    References

    • Almac Sciences (Scotland) Limited; RAMAGE, Robert; MALTMAN, Beatrice; COTTON, Graham; COUTURIER, Sarah, Claire, Monique; MCMORDIE, Robert, Austin, Simms Patent: EP1940965 B1, 2014 ; Location in patent: Paragraph 0085-0087 ;
  • Route2
    • null|null
      60042-00-4
    • ~93%
    • 5-Nitro-2-(phenylamino)benzoic acid|CS-0233483
      16927-50-7

    References

    • Oh, Soo-Jin; Hwang, Seok Jin; Jung, Jonghoon; Yu, Kuai; Kim, Jeongyeon; Choi, Jung Yoon; Hartzell, H. Criss; Roh, Eun Joo; Justin Lee Molecular Pharmacology, 2013 , vol. 84, # 5 p. 726 - 735
  • Route3

    References

    • Marques, Emerson F.; Bueno, Mauro A.; Duarte, Patricia D.; Silva, Larissa R.S.P.; Martinelli, Ariani M.; Dos Santos, Caio Y.; Severino, Richele P.; Broemme, Dieter; Vieira, Paulo C.; Correa, Arlene G. European Journal of Medicinal Chemistry, 2012 , vol. 54, p. 10 - 21

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-P305+P351+P338-P330-P362-P403+P233-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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