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CS-W001157 4
Total: USD 88.00

3-Nitro-N-(p-tolyl)benzamide

  • CAS No. 6911-92-8

  • Cat. No. CS-0524547
  • Molecule weight256.26
  • Purity≥98%
  • MDL No.MFCD00227271

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

3-Nitro-N-(p-tolyl)benzamide|CS-0524547

Structure of 6911-92-8

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General Information

  • CAS No. 6911-92-8
  • Cat. No. CS-0524547
  • Purity ≥98%
  • MDL No. MFCD00227271
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₂N₂O₃
  • Molecular Weight 256.26
  • Synonym(s) N-(4-methylphenyl)-3-nitrobenzamide
  • SMILES O=C(NC1=CC=C(C)C=C1)C2=CC=CC([N+]([O-])=O)=C2

Synthesis

  • Route1
    • null|null
      106-49-0
    • null|null
      121-90-4
    • ~84%
    • 3-Nitro-N-(p-tolyl)benzamide|CS-0524547
      6911-92-8

    References

    • Al-Nadaf, Afaf; Sheikha, Ghassan Abu; Taha, Mutasem O. Bioorganic and Medicinal Chemistry, 2010 , vol. 18, # 9 p. 3088 - 3115
  • Route2
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • null|null
      106-49-0
    • ~77%
    • 3-Nitro-N-(p-tolyl)benzamide|CS-0524547
      6911-92-8

    References

    • Gao, Jie; Wang, Guan-Wu Journal of Organic Chemistry, 2008 , vol. 73, # 7 p. 2955 - 2958
  • Route3

    References

    • Toa Eiyo, Ltd. Patent: US5728835 A1, 1998 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   72.24
  • LogP   3.15552
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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