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5-Acetyl-2-chloro-6-methylnicotinonitrile

  • CAS No. 121348-15-0

  • Cat. No. CS-0442508
  • Purity≥98%
  • MDL No.None

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

5-Acetyl-2-chloro-6-methylnicotinonitrile|CS-0442508

Structure of 121348-15-0

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General Information

  • CAS No. 121348-15-0
  • Cat. No. CS-0442508
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇ClN₂O
  • Molecular Weight 194.62
  • Synonym(s) None
  • SMILES CC1=NC(=C(C=C1C(=O)C)C#N)Cl

Synthesis

  • Route1
    • 3-Pyridinecarbonitrile,5-acetyl-1,2-dihydro-6-methyl-2-oxo-|CS-0006432
      52600-53-0
    • ~%
    • 5-Acetyl-2-chloro-6-methylnicotinonitrile|CS-0442508
      121348-15-0

    References

    • Bayer Aktiengesellschaft Patent: US4920136 A1, 1990 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.75
  • LogP   2.1177
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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