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(E)-N-hydroxy-1H-benzo[d]imidazole-2-carbimidoyl cyanide

  • CAS No. 63823-75-6

  • Cat. No. CS-0326754
  • Molecule weight186.17
  • Purity≥95%
  • MDL No.None

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

(E)-N-hydroxy-1H-benzo[d]imidazole-2-carbimidoyl cyanide|CS-0326754

Structure of 63823-75-6

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General Information

  • CAS No. 63823-75-6
  • Cat. No. CS-0326754
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₄O
  • Molecular Weight 186.17
  • Synonym(s) (E)-1H-1,3-benzodiazole-2-carbonimidoyl cyanide
  • SMILES C1=CC2=C(C=C1)N=C(/C(=N/O)/C#N)N2

Synthesis

  • Route1
    • 1H-Benzimidazol-1-ylacetonitrile|CS-0072244
      4414-74-8
    • ~%
    • (E)-N-hydroxy-1H-benzo[d]imidazole-2-carbimidoyl cyanide|CS-0326754
      63823-75-6

    References

    • BASILEA PHARMACEUTICA AG; POHLMANN, Jens; BACHMANN, Felix Patent: WO2011/12577 A1, 2011 ; Location in patent: Page/Page column 29; 30; 31 ;

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

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Computational Chemistry Data

  • TPSA   85.06
  • LogP   1.26478
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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