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CS-W001157 4
Total: USD 88.00

2-(Pyrimidin-4-yl)acetonitrile

  • CAS No. 794522-90-0

  • Cat. No. CS-0052207
  • Molecule weight119.12
  • Purity≥97%
  • MDL No.None

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

2-(Pyrimidin-4-yl)acetonitrile|CS-0052207

Structure of 794522-90-0

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General Information

  • CAS No. 794522-90-0
  • Cat. No. CS-0052207
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅N₃
  • Molecular Weight 119.12
  • Synonym(s) 4-PyriMidineacetonitrile
  • SMILES N#CCC1=CC=NC=N1

Synthesis

  • Route1
    • (E)-N,N-Dimethyl-2-(pyrimidin-4-yl)ethen-1-amine|CS-1663971
      179009-23-5
    • ~40%
    • 2-(Pyrimidin-4-yl)acetonitrile|CS-0052207
      794522-90-0

    References

    • ASKA Pharmaceutical Co., Ltd. Patent: EP1832584 A1, 2007 ; Location in patent: Page/Page column 11 ; EP 1832584 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   0.54268
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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