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CS-W001157 4
Total: USD 88.00

Methyl 2-methyl-3,5-dinitrobenzoate

  • CAS No. 52090-24-1

  • Cat. No. CS-0312835
  • Purity≥96%
  • MDL No.None

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

Methyl 2-methyl-3,5-dinitrobenzoate|CS-0312835

Structure of 52090-24-1

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General Information

  • CAS No. 52090-24-1
  • Cat. No. CS-0312835
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₆
  • Molecular Weight 240.17
  • Synonym(s) 2-METHYL-3,5-DINITRO-BENZOIC ACID METHYL ESTER
  • SMILES CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OC

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      2-Methyl-3,5-dinitrobenzoic acid|CS-0214836
      28169-46-2
    • ~86%
    • In-stock
      Methyl 2-methyl-3,5-dinitrobenzoate|CS-0312835
      52090-24-1

    References

    • PFIZER INC. Patent: WO2004/63198 A1, 2004 ; Location in patent: Page 71 ; WO 2004/063198 A1
  • Route2

    References

    • van Scherpenzeel Recueil des Travaux Chimiques des Pays-Bas, 1901 , vol. 20, p. 169
  • Route3

    References

    • van Scherpenzeel Recueil des Travaux Chimiques des Pays-Bas, 1901 , vol. 20, p. 169

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   112.58
  • LogP   1.59802
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   3

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