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CS-W001157 4
Total: USD 88.00

2,6-Dimethyl-3,5-dinitrobenzoic acid

  • CAS No. 118561-70-9

  • Cat. No. CS-0442080
  • Purity≥98%
  • MDL No.None

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

2,6-Dimethyl-3,5-dinitrobenzoic acid|CS-0442080

Structure of 118561-70-9

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General Information

  • CAS No. 118561-70-9
  • Cat. No. CS-0442080
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₆
  • Molecular Weight 240.17
  • Synonym(s) Benzoic acid,2,6-dimethyl-3,5-dinitro
  • SMILES CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C)C(=O)O

Synthesis

  • Route1

    References

    • Shiina, Isamu; Miyao, Ryo Heterocycles, 2008 , vol. 76, # 2 p. 1313 - 1328
  • Route2

    References

    • Hartshorn, Michael P.; Readman, Jennifer M.; Robinson, Ward T.; Sies, Christiaan W.; Wright Graeme J. Australian Journal of Chemistry, 1988 , vol. 41, # 3 p. 373 - 386

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+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   123.58
  • LogP   1.81804
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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