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CS-W001157 4
Total: USD 88.00

Methyl 2,6-dinitrobenzoate

  • CAS No. 42087-82-1

  • Cat. No. CS-0452339
  • Purity≥98%
  • MDL No.None

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

Methyl 2,6-dinitrobenzoate|CS-0452339

Structure of 42087-82-1

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General Information

  • CAS No. 42087-82-1
  • Cat. No. CS-0452339
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O₆
  • Molecular Weight 226.14
  • Synonym(s) None
  • SMILES COC(=O)C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]

Synthesis

  • Route1
    • 2,6-Dinitrobenzoic acid|CS-0454055
      603-12-3
    • null|null
      20667-76-9
    • ~63%
    • Methyl 2,6-dinitrobenzoate|CS-0452339
      42087-82-1

    References

    • The Upjohn Company Patent: US3993679 A1, 1976 ;
  • Route2
    • 2,6-Dinitrobenzoic acid|CS-0454055
      603-12-3
    • null|null
      77-78-1
    • ~90%
    • Methyl 2,6-dinitrobenzoate|CS-0452339
      42087-82-1

    References

    • Warrener, Ronald N.; Russel, Richard A.; Marcuccio, Sebastian M. Australian Journal of Chemistry, 1980 , vol. 33, # 12 p. 2777 - 2779
  • Route3
    • null|null
      606-20-2
    • ~%
    • Methyl 2,6-dinitrobenzoate|CS-0452339
      42087-82-1

    References

    • Warrener, Ronald N.; Russel, Richard A.; Marcuccio, Sebastian M. Australian Journal of Chemistry, 1980 , vol. 33, # 12 p. 2777 - 2779

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   112.58
  • LogP   1.2896
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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