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CS-W001157 4
Total: USD 88.00

N-Benzyl-3-nitroaniline

  • CAS No. 33334-94-0

  • Cat. No. CS-0072679
  • Purity≥97%
  • MDL No.None

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

N-Benzyl-3-nitroaniline|CS-0072679

Structure of 33334-94-0

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General Information

  • CAS No. 33334-94-0
  • Cat. No. CS-0072679
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₂N₂O₂
  • Molecular Weight 228.25
  • Synonym(s) N-(3-Nitrophenyl)Benzylamine
  • SMILES [O-][N+](C1=CC=CC(NCC2=CC=CC=C2)=C1)=O

Synthesis

  • Route1
    • null|null
      100-52-7
    • null|null
      99-09-2
    • ~83%
    • N-Benzyl-3-nitroaniline|CS-0072679
      33334-94-0

    References

    • Kumar, Dinesh; Kommi, Damodara N.; Chebolu, Rajesh; Garg, Sanjeev K.; Kumar, Raj; Chakraborti, Asit K. RSC Advances, 2013 , vol. 3, # 1 p. 91 - 98
  • Route2
    • null|null
      645-00-1
    • null|null
      100-46-9
    • ~94%
    • N-Benzyl-3-nitroaniline|CS-0072679
      33334-94-0

    References

    • Yang, Chu-Ting; Fu, Yao; Huang, Yao-Bing; Yi, Jun; Guo, Qing-Xiang; Liu, Lei Angewandte Chemie, International Edition, 2009 , vol. 48, # 40 p. 7398 - 7401 Angewandte Chemie, 2009 , vol. 121, # 40 p. 7534 - 7537
  • Route3
    • null|null
      645-00-1
    • null|null
      67-63-0
    • null|null
      100-46-9
    • ~72%
    • N-Benzyl-3-nitroaniline|CS-0072679
      33334-94-0

    References

    • Buchwald, Stephen L.; Klapars, Artis; Antilla, Jon C.; Job, Gabriel E.; Wolter, Martina; Kwong, Fuk Y.; Nordmann, Gero; Hennessy, Edward J. Patent: US2003/65187 A1, 2003 ;

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

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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