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CS-W001157 4
Total: USD 88.00

N-methyl-3-nitrobenzamide

  • CAS No. 3400-26-8

  • Cat. No. CS-M0747
  • Purity≥98%
  • MDL No.MFCD00714941

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

N-methyl-3-nitrobenzamide|CS-M0747

Structure of 3400-26-8

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General Information

  • CAS No. 3400-26-8
  • Cat. No. CS-M0747
  • Purity ≥98%
  • MDL No. MFCD00714941
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈N₂O₃
  • Molecular Weight 180.16
  • Synonym(s) N-Methyl-3-nitro-benzamide
  • SMILES O=C(NC)C1=CC([N+]([O-])=O)=CC=C1

Synthesis

  • Route1
    • null|null
      74-89-5
    • null|null
      121-90-4
    • ~94%
    • N-methyl-3-nitrobenzamide|CS-M0747
      3400-26-8

    References

    • Batt, Douglas G. Patent: US2004/67935 A1, 2004 ; Location in patent: Page/Page column 28 ; US 20040067935 A1
  • Route2

    References

    • Talukdar, Dhrubajyoti; Saikia, Lakhinath; Thakur, Ashim Jyoti Synlett, 2011 , # 11 p. 1597 - 1601
  • Route3
    • null|null
      593-51-1
    • null|null
      121-90-4
    • ~%
    • N-methyl-3-nitrobenzamide|CS-M0747
      3400-26-8

    References

    • Angewandte Chemie - International Edition, , vol. 52, # 49 p. 13086 - 13090 Angew. Chem., , vol. 125, # 49 p. 13324 - 13328,5

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-H332-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   72.24
  • LogP   0.9544
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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