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CS-W001157 4
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1-Methyl-1H-benzimidazole-2-carbonitrile

  • CAS No. 5805-74-3

  • Cat. No. CS-0208287
  • Molecule weight157.17
  • Purity95+%
  • MDL No.MFCD00196767

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

1-Methyl-1H-benzimidazole-2-carbonitrile|CS-0208287

Structure of 5805-74-3

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General Information

  • CAS No. 5805-74-3
  • Cat. No. CS-0208287
  • Purity 95+%
  • MDL No. MFCD00196767
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇N₃
  • Molecular Weight 157.17
  • Synonym(s) 1-methylbenzimidazole-2-carbonitrile
  • SMILES CN1C2=CC=CC=C2N=C1C#N

Synthesis

  • Route1

    References

    • Luo, Yu; Xiao, Feng; Qian, Shijing; Lu, Wei; Yang, Bo European Journal of Medicinal Chemistry, 2011 , vol. 46, # 1 p. 417 - 422
  • Route2
    • null|null
      773837-37-9
    • 2-Iodo-1-methyl-1H-benzo[d]imidazole|CS-0608215
      34734-15-1
    • ~%
    • 1-Methyl-1H-benzimidazole-2-carbonitrile|CS-0208287
      5805-74-3

    References

    • Do, Hien-Quang; Daugulis, Olafs Organic Letters, 2010 , vol. 12, # 11 p. 2517 - 2519
  • Route3
    • null|null
      143-33-9
    • null|null
      98711-52-5
    • ~10%
    • 1-Methyl-1H-benzimidazole-2-carbonitrile|CS-0208287
      5805-74-3

    References

    • Castellanos, Maria Luisa; Llinas, Montserrat; Bruix, Marta; Mendoza, Javier de; Martin, M. Rosario Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1985 , p. 1209 - 1216

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   1.44498
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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