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CS-W001157 4
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1-Methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile

  • CAS No. 768-45-6

  • Cat. No. CS-0071084
  • Molecule weight134.14
  • Purity≥98%
  • MDL No.None

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

1-Methyl-6-oxo-1,6-dihydropyridine-3-carbonitrile|CS-0071084

Structure of 768-45-6

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General Information

  • CAS No. 768-45-6
  • Cat. No. CS-0071084
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O
  • Molecular Weight 134.14
  • Synonym(s) 1-Methyl-5-cyanopyridine-2(1H)-one
  • SMILES N#CC1=CN(C)C(C=C1)=O

Synthesis

  • Route1

    References

    • Buurman; Van der Plas Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 4 p. 1015 - 1018
  • Route2

    References

    • Topczewski, Joseph J.; Quinn, Daniel M. Organic Letters, 2013 , vol. 15, # 5 p. 1084 - 1087
  • Route3

    References

    • Buurman; Van der Plas Journal of Heterocyclic Chemistry, 1986 , vol. 23, # 4 p. 1015 - 1018

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   45.79
  • LogP   0.25698
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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