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CS-W001157 4
Total: USD 88.00

1H-Benzimidazol-1-ylacetonitrile

  • CAS No. 4414-74-8

  • Cat. No. CS-0072244
  • Purity≥97%
  • MDL No.MFCD00590873

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

1H-Benzimidazol-1-ylacetonitrile|CS-0072244

Structure of 4414-74-8

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General Information

  • CAS No. 4414-74-8
  • Cat. No. CS-0072244
  • Purity ≥97%
  • MDL No. MFCD00590873
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃
  • Molecular Weight 157.17
  • Synonym(s) 2-(benzimidazol-1-yl)ethanenitrile
  • SMILES N#CCN1C=NC2=CC=CC=C21

Synthesis

  • Route1

    References

    • N.V. ORGANON Patent: WO2007/54480 A1, 2007 ; Location in patent: Page/Page column 11 ; WO 2007/054480 A1
  • Route2
    • null|null
      590-17-0
    • ~91%
    • 1H-Benzimidazol-1-ylacetonitrile|CS-0072244
      4414-74-8

    References

    • AKZO NOBEL N.V. Patent: US2007/112034 A1, 2007 ; Location in patent: Page/Page column 4 ;
  • Route3

    References

    • Danan; Charon; Kirkiacharian; Bories; Loiseau Farmaco, 1997 , vol. 52, # 4 p. 227 - 229

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-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   1.55988
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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