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CS-W001157 4
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1-Methyl-1H-imidazole-5-carbonitrile

  • CAS No. 66121-66-2

  • Cat. No. CS-0052469
  • Purity≥97%
  • MDL No.None

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

1-Methyl-1H-imidazole-5-carbonitrile|CS-0052469

Structure of 66121-66-2

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General Information

  • CAS No. 66121-66-2
  • Cat. No. CS-0052469
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃
  • Molecular Weight 107.11
  • Synonym(s) 3-methylimidazole-4-carbonitrile
  • SMILES CN1C=NC=C1C#N

Synthesis

  • Route1
    • null|null
      43193-18-6
    • ~53%
    • In-stock
      1-Methyl-1H-imidazole-5-carbonitrile|CS-0052469
      66121-66-2

    References

    • Oresmaa; Kotikoski; Haukka; Oksala; Pohjala; Vapaatalo; Moilanen; Vainiotalo; Aulaskari European Journal of Medicinal Chemistry, 2006 , vol. 41, # 9 p. 1073 - 1079
  • Route2

    References

    • Journal of the Chemical Society, Chemical Communications, , # 12 p. 604 - 606
  • Route3

    References

    • Bulletin of the Chemical Society of Japan, , vol. 60, # 10 p. 3693 - 3696

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   0.29178
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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