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CS-W001157 4
Total: USD 88.00

3-(Methylamino)-4-nitrobenzoic acid

  • CAS No. 214778-10-6

  • Cat. No. CS-0097074
  • Purity≥98%
  • MDL No.MFCD18826011

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

3-(Methylamino)-4-nitrobenzoic acid|CS-0097074

Structure of 214778-10-6

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General Information

  • CAS No. 214778-10-6
  • Cat. No. CS-0097074
  • Purity ≥98%
  • MDL No. MFCD18826011
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₄
  • Molecular Weight None
  • Synonym(s) Benzoic acid, 3-(methylamino)-4-nitro- (9CI)
  • SMILES O=C(C1=CC=C(C(NC)=C1)[N+]([O-])=O)O

Synthesis

  • Route1
    • In-stock
      3-Methoxy-4-nitrobenzoic acid|CS-W007961
      5081-36-7
    • null|null
      74-89-5
    • ~79%
    • In-stock
      3-(Methylamino)-4-nitrobenzoic acid|CS-0097074
      214778-10-6

    References

    • Sperandio, David; Gangloff, Anthony R.; Litvak, Joane; Goldsmith, Richard; Hataye, Jason M.; Wang, Vivian R.; Shelton, Emma J.; Elrod, Kyle; Janc, James W.; Clark, James M.; Rice, Ken; Weinheimer, Steve; Yeung, Kap-Sun; Meanwell, Nicholas A.; Hernandez, Dennis; Staab, Andrew J.; Venables, Brian L.; Spencer, Jeffrey R. Bioorganic and Medicinal Chemistry Letters, 2002 , vol. 12, # 21 p. 3129 - 3133
  • Route2
    • In-stock
      3-Fluoro-4-nitrobenzenecarboxylic acid|CS-D1499
      403-21-4
    • null|null
      74-89-5
    • ~%
    • In-stock
      3-(Methylamino)-4-nitrobenzoic acid|CS-0097074
      214778-10-6

    References

    • SCHERING CORPORATION Patent: WO2008/82490 A2, 2008 ; Location in patent: Page/Page column 104; 105 ; WO 2008/082490 A2
  • Route3
    • null|null
      1325724-30-8
    • ~%
    • In-stock
      3-(Methylamino)-4-nitrobenzoic acid|CS-0097074
      214778-10-6

    References

    • SYNTARGA B.V.; BEUSKER, Patrick Henry; COUMANS, Rudy Gerardus Elisabeth; ELGERSMA, Ronald Christiaan; MENGE, Wiro Michael Petrus Bernardus; JOOSTEN, Johannes Albertus Frederikus; SPIJKER, Henri Johannes; DE GROOT, Franciscus Marinus Hendrikus Patent: WO2010/62171 A2, 2010 ; Location in patent: Page/Page column 148 ;

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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   92.47
  • LogP   1.3347
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   3

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