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CS-W001157 4
Total: USD 88.00

4-Methyl-3,5-dinitrobenzamide

  • CAS No. 4551-76-2

  • Cat. No. CS-0323111
  • Molecule weight225.16
  • Purity95+%
  • MDL No.None

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

4-Methyl-3,5-dinitrobenzamide|CS-0323111

Structure of 4551-76-2

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General Information

  • CAS No. 4551-76-2
  • Cat. No. CS-0323111
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇N₃O₅
  • Molecular Weight 225.16
  • Synonym(s) 4-methyl-3,5-dinitro-benzamide
  • SMILES O=C(N)C1=CC([N+]([O-])=O)=C(C)C([N+]([O-])=O)=C1

Synthesis

  • Route1

    References

    • Randall, Jared Lynn; Gibbs, Richard Alan; Bosch, Gregory Kent; Curtis, Michael David; Sun, Li; Nikolaides, Nicholas Patent: US2004/167194 A1, 2004 ; Location in patent: Page 20-21 ;
  • Route2
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    • 4-Methyl-3,5-dinitrobenzamide|CS-0323111
      4551-76-2

    References

    • Sah Recueil des Travaux Chimiques des Pays-Bas, 1939 , vol. 58, p. 582,587 Journal of the Chinese Chemical Society (Peking), 1946 , vol. 14, p. 45,47

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS06
Signal Word : Danger
UN#: 2926
Class : 4.1,6.1
Packing Group : Ⅱ
Hazard Statements : H228-H301+H311+H331-H315-H319
Precautionary Statements : P210-P240-P241-P261-P264-P270-P271-P280-P361+P364-P370+P378-P405-P501

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Computational Chemistry Data

  • TPSA   129.37
  • LogP   0.91032
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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