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CS-W001157 4
Total: USD 88.00

4,5-Dinitrocatechol

  • CAS No. 77400-30-7

  • Cat. No. CS-0341617
  • Purity≥98%
  • MDL No.None

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

4,5-Dinitrocatechol|CS-0341617

Structure of 77400-30-7

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General Information

  • CAS No. 77400-30-7
  • Cat. No. CS-0341617
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄N₂O₆
  • Molecular Weight 200.11
  • Synonym(s) 4,5-Dinitrobenzene-1,2-diol
  • SMILES C1=C(C(=CC(=C1O)O)[N+](=O)[O-])[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Marks, Patrick; Cohen, Sage; Levine, Mindy Journal of Polymer Science, Part A: Polymer Chemistry, 2013 , vol. 51, # 19 p. 4150 - 4155
  • Route2
    • 1,2-Dimethoxybenzene Methoxamine  Impurity|CS-0229041
      91-16-7
    • ~%
    • 4,5-Dinitrocatechol|CS-0341617
      77400-30-7

    References

    • Tetrahedron, , vol. 62, # 41 p. 9681 - 9687
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 12, p. 522,529

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   126.74
  • LogP   0.9142
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   2

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