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CS-W001157 4
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4-Acetylpicolinonitrile

  • CAS No. 52689-18-6

  • Cat. No. CS-0120998
  • Molecule weight146.15
  • Purity≥98%
  • MDL No.MFCD06637567

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

4-Acetylpicolinonitrile|CS-0120998

Structure of 52689-18-6

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General Information

  • CAS No. 52689-18-6
  • Cat. No. CS-0120998
  • Purity ≥98%
  • MDL No. MFCD06637567
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆N₂O
  • Molecular Weight 146.15
  • Synonym(s) 4-Acetyl-2-cyanopyridine
  • SMILES N#CC1=NC=CC(C(C)=O)=C1

Synthesis

  • Route1
    • 1-(Pyridin-4-yl)ethanone  Imatinib Impurity|CS-0167015
      1122-54-9
    • null|null
      151-50-8
    • ~53%
    • 2-Hydroxy-2-(pyridin-4-yl)propanenitrile|CS-0677595
      89976-64-7
    • In-stock
      4-Acetylpicolinonitrile|CS-0120998
      52689-18-6

    References

    • Katritzky, Alan R.; Scriven, Eric F. V.; Majumder, Suman; Tu, Hongbin; Vakulenko, Anatoliy V.; Akhmedov, Novruz G.; Murugan, Ramiah Synthesis, 2005 , # 6 art. no. M08404SS, p. 993 - 997

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 : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.75
  • LogP   1.15588
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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