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CS-W001157 4
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2-(4-Nitrophenyl)-1H-benzimidazole

  • CAS No. 729-13-5

  • Cat. No. CS-0212933
  • Purity95+%
  • MDL No.MFCD00225481

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

2-(4-Nitrophenyl)-1H-benzimidazole|CS-0212933

Structure of 729-13-5

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General Information

  • CAS No. 729-13-5
  • Cat. No. CS-0212933
  • Purity 95+%
  • MDL No. MFCD00225481
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₉N₃O₂
  • Molecular Weight 239.23
  • Synonym(s) 2-(4-NITRO-PHENYL)-1H-BENZOIMIDAZOLE
  • SMILES C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Rambabu; Murthi, P. Radha Krishna; Dulla, Balakrishna; Basaveswara Rao; Pal, Manojit Synthetic Communications, 2013 , vol. 43, # 22 p. 3083 - 3092
  • Route2

    References

    • Eshghi, Hossein; Rahimizadeh, Mohammad; Shiri, Ali; Sedaghat, Parisa Bulletin of the Korean Chemical Society, 2012 , vol. 33, # 2 p. 515 - 518
  • Route3

    References

    • Qu, Yanyang; Pan, Lei; Wu, Zhiqing; Zhou, Xiangge Tetrahedron, 2013 , vol. 69, # 6 p. 1717 - 1719

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

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Computational Chemistry Data

  • TPSA   71.82
  • LogP   3.1381
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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