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CS-W001157 4
Total: USD 88.00

2-Amino-5-methyl-3-nitrobenzoic acid

  • CAS No. 5465-34-9

  • Cat. No. CS-0217051
  • Purity95+%
  • MDL No.None

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

2-Amino-5-methyl-3-nitrobenzoic acid|CS-0217051

Structure of 5465-34-9

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General Information

  • CAS No. 5465-34-9
  • Cat. No. CS-0217051
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₄
  • Molecular Weight 196.16
  • Synonym(s) None
  • SMILES CC1=CC(=C(C(=C1)[N+](=O)[O-])N)C(=O)O

Synthesis

  • Route1
    • null|null
      90418-79-4
    • ~84%
    • 2-Amino-5-methyl-3-nitrobenzoic acid|CS-0217051
      5465-34-9

    References

    • MERCK SERONO S.A.; THUNUGUNTLA, Siva Sanjeeva Rao; SUBRAMANYA, Hosahalli; KUNNAM, Satish Reddy; SANIVARU VIJAY, Sekhar Reddy; BINGI, Chakrapani; KUSANUR, Raviraj; SCHWARZ, Matthias; ARLT, Michael Patent: WO2010/115736 A2, 2010 ; Location in patent: Page/Page column 78 ; WO 2010/115736 A2
  • Route2
    • null|null
      573692-68-9
    • ~94%
    • 2-Amino-5-methyl-3-nitrobenzoic acid|CS-0217051
      5465-34-9

    References

    • Zhou, Zhang-Lin; Kher, Sunil M.; Cai, Sui Xiong; Whittemore, Edward R.; Espitia, Stephen A.; Hawkinson, Jon E.; Tran, Minhtam; Woodward, Richard M.; Weber, Eckard; Keana, John F. W. Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 8 p. 1769 - 1780
  • Route3

    References

    • Zhou, Zhang-Lin; Kher, Sunil M.; Cai, Sui Xiong; Whittemore, Edward R.; Espitia, Stephen A.; Hawkinson, Jon E.; Tran, Minhtam; Woodward, Richard M.; Weber, Eckard; Keana, John F. W. Bioorganic and Medicinal Chemistry, 2003 , vol. 11, # 8 p. 1769 - 1780

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   106.46
  • LogP   1.18362
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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