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CS-W001157 4
Total: USD 88.00

5-Nitro-1H-benzo[d]imidazol-2(3H)-one

  • CAS No. 93-84-5

  • Cat. No. CS-W022420
  • Purity≥98%
  • MDL No.MFCD00220274

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

5-Nitro-1H-benzo[d]imidazol-2(3H)-one|CS-W022420

Structure of 93-84-5

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General Information

  • CAS No. 93-84-5
  • Cat. No. CS-W022420
  • Purity ≥98%
  • MDL No. MFCD00220274
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅N₃O₃
  • Molecular Weight 179.13
  • Synonym(s) 5-Nitro-2-benzimidazolinone
  • SMILES O=C1NC2=CC=C([N+]([O-])=O)C=C2N1

Synthesis

  • Route1
    • null|null
      124-38-9
    • null|null
      99-56-9
    • ~71%
    • In-stock
      5-Nitro-1H-benzo[d]imidazol-2(3H)-one|CS-W022420
      93-84-5

    References

    • Kimura, Toshihiro; Kamata, Keigo; Mizuno, Noritaka Angewandte Chemie - International Edition, 2012 , vol. 51, # 27 p. 6700 - 6703
  • Route2

    References

    • Abbas, Muhammad Azhar; Hameed, Shahid; Kressler, Joerg Asian Journal of Chemistry, 2013 , vol. 25, # 1 p. 509 - 511
  • Route3
    • null|null
      99-56-9
    • null|null
      530-62-1
    • ~75%
    • In-stock
      5-Nitro-1H-benzo[d]imidazol-2(3H)-one|CS-W022420
      93-84-5

    References

    • AURIGENE DISCOVERY TECHNOLOGIES LIMITED; SENGUPTA, Saumitra; RAJAGOPALAN, Srinivasan; BELAVAGI, Ningaraddi; RAMACHANDRA, Muralidhara Patent: WO2012/59932 A1, 2012 ; Location in patent: Page/Page column 161 ; WO 2012/059932 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
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   91.79
  • LogP   0.7644
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   1

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