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CS-W001157 4
Total: USD 88.00

N-benzyl-3-nitrobenzamide

  • CAS No. 7595-68-8

  • Cat. No. CS-0331128
  • Purity≥98%
  • MDL No.None

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

N-benzyl-3-nitrobenzamide|CS-0331128

Structure of 7595-68-8

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General Information

  • CAS No. 7595-68-8
  • Cat. No. CS-0331128
  • Purity ≥98%
  • MDL No. None
  • 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-phenylmethyl-3-nitrobenzamide
  • SMILES O=[N+]([O-])C1=CC(C(NCC2=CC=CC=C2)=O)=CC=C1

Synthesis

  • Route1
    • null|null
      805316-33-0
    • ~65%
    • N-benzyl-3-nitrobenzamide|CS-0331128
      7595-68-8

    References

    • An, Gwang-Il; Rhee, Hakjune Synlett, 2003 , # 6 p. 876 - 878
  • Route2
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • null|null
      100-46-9
    • ~56%
    • N-benzyl-3-nitrobenzamide|CS-0331128
      7595-68-8

    References

    • Fang, Chen; Qian, Weixing; Bao, Weiliang Synlett, 2008 , # 16 p. 2529 - 2531
  • Route3
    • null|null
      100-46-9
    • ~%
    • N-benzyl-3-nitrobenzamide|CS-0331128
      7595-68-8

    References

    • Astra Aktiebolag Patent: US5885985 A1, 1999 ; US 5885985 A

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   72.24
  • LogP   2.5248
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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