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CS-W001157 4
Total: USD 88.00

3-Bromo-N-methyl-5-nitrobenzamide

  • CAS No. 90050-52-5

  • Cat. No. CS-0191781
  • Molecule weight259.06
  • Purity≥98%
  • MDL No.None

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

3-Bromo-N-methyl-5-nitrobenzamide|CS-0191781

Structure of 90050-52-5

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General Information

  • CAS No. 90050-52-5
  • Cat. No. CS-0191781
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrN₂O₃
  • Molecular Weight 259.06
  • Synonym(s) N-Methyl 3-bromo-5-nitrobenzamide
  • SMILES CNC(C1=CC(Br)=CC([N+]([O-])=O)=C1)=O

Synthesis

  • Route1

    References

    • Batt, Douglas G. Patent: US2004/67935 A1, 2004 ; Location in patent: Page/Page column 33 ; US 20040067935 A1
  • Route2
    • null|null
      74-89-5
    • ~%
    • 3-Bromo-N-methyl-5-nitrobenzamide|CS-0191781
      90050-52-5

    References

    • WO2007/48771 A1, ; Page/Page column 23-24; 57 ; WO 2007/048771 A1
  • Route3
    • null|null
      51339-40-3
    • null|null
      74-89-5
    • ~%
    • 3-Bromo-N-methyl-5-nitrobenzamide|CS-0191781
      90050-52-5

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 18, # 2 p. 576 - 585

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   72.24
  • LogP   1.7169
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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