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CS-W001157 4
Total: USD 88.00

2,6-Dinitrobenzoic acid

  • CAS No. 603-12-3

  • Cat. No. CS-0454055
  • Purity≥98%
  • MDL No.None

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

2,6-Dinitrobenzoic acid|CS-0454055

Structure of 603-12-3

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General Information

  • CAS No. 603-12-3
  • Cat. No. CS-0454055
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄N₂O₆
  • Molecular Weight 212.12
  • Synonym(s) None
  • SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      155593-11-6
    • ~91%
    • 2,6-Dinitrobenzoic acid|CS-0454055
      603-12-3

    References

    • PerkinElmer Health Sciences, Inc. Patent: US2010/228048 A1, 2010 ; Location in patent: Page/Page column 2 ;
  • Route2
    • null|null
      606-20-2
    • ~56%
    • 2,6-Dinitrobenzoic acid|CS-0454055
      603-12-3

    References

    • Warrener, Ronald N.; Russel, Richard A.; Marcuccio, Sebastian M. Australian Journal of Chemistry, 1980 , vol. 33, # 12 p. 2777 - 2779
  • Route3
    • 2,6-Dinitrobenzaldehyde|CS-0359019
      606-31-5
    • ~65%
    • 2,6-Dinitrobenzoic acid|CS-0454055
      603-12-3

    References

    • Deady, Leslie W.; Devine, Shane M.; Rogers, Michael L. Organic Preparations and Procedures International, 2003 , vol. 35, # 6 p. 627 - 630

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   123.58
  • LogP   1.2012
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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