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CS-W001157 4
Total: USD 88.00

N-Benzyl-2-nitroaniline

  • CAS No. 5729-06-6

  • Cat. No. CS-M2851
  • Purity≥98%
  • MDL No.MFCD00493568

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

N-Benzyl-2-nitroaniline|CS-M2851

Structure of 5729-06-6

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General Information

  • CAS No. 5729-06-6
  • Cat. No. CS-M2851
  • Purity ≥98%
  • MDL No. MFCD00493568
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂N₂O₂
  • Molecular Weight 228.25
  • Synonym(s) N-(o-Nitrophenyl)benzylamine; N-Benzyl-2-nitroaniline; N-Benzyl-2-nitrobenzenamine; N-Benezyl-2-nitroaniline
  • SMILES O=[N+]([O-])C1=CC=CC=C1NCC2=CC=CC=C2

Synthesis

  • Route1
    • null|null
      100-52-7
    • null|null
      88-74-4
    • ~80%
    • In-stock
      N-Benzyl-2-nitroaniline|CS-M2851
      5729-06-6

    References

    • Hubbard, Jeremiah W.; Piegols, Adam M.; Soederberg, Bjoern C.G. Tetrahedron, 2007 , vol. 63, # 30 p. 7077 - 7085
  • Route2
    • null|null
      100-39-0
    • null|null
      88-74-4
    • ~93%
    • In-stock
      N-Benzyl-2-nitroaniline|CS-M2851
      5729-06-6

    References

    • Kommi, Damodara N.; Kumar, Dinesh; Bansal, Rohit; Chebolu, Rajesh; Chakraborti, Asit K. Green Chemistry, 2012 , vol. 14, # 12 p. 3329 - 3335
  • Route3
    • null|null
      88-73-3
    • null|null
      100-46-9
    • ~99%
    • In-stock
      N-Benzyl-2-nitroaniline|CS-M2851
      5729-06-6

    References

    • Kruse, Lawrence I.; Kaiser, Carl; DeWolf, Walter E.; Finkelstein, Joseph A.; Frazee, James S.; et al. Journal of Medicinal Chemistry, 1990 , vol. 33, # 2 p. 781 - 789

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   55.17
  • LogP   3.2069
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   4

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