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CS-W001157 4
Total: USD 88.00

4-Methylpyrimidine-2-carbonitrile

  • CAS No. 77768-02-6

  • Cat. No. CS-W003852
  • Purity≥97%
  • MDL No.None

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

4-Methylpyrimidine-2-carbonitrile|CS-W003852

Structure of 77768-02-6

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General Information

  • CAS No. 77768-02-6
  • Cat. No. CS-W003852
  • 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-Methyl-2-pyriMidinecarbonitrile
  • SMILES Cc1ccnc(n1)C#N

Synthesis

  • Route1
    • In-stock
      2-Chloro-4-methylpyrimidine|CS-D1513
      13036-57-2
    • null|null
      557-21-1
    • ~66%
    • In-stock
      4-Methylpyrimidine-2-carbonitrile|CS-W003852
      77768-02-6

    References

    • COMENTIS, INC.; PURDUE RESEARCH FOUNDATION Patent: WO2009/42694 A1, 2009 ; Location in patent: Page/Page column 83 ; WO 2009/042694 A1
  • Route2
    • null|null
      557-21-1
    • In-stock
      2-Chloro-4-methylpyrimidine|CS-D1513
      13036-57-2
    • ~55%
    • In-stock
      4-Methylpyrimidine-2-carbonitrile|CS-W003852
      77768-02-6

    References

    • MERCK SHARP and DOHME CORP.; EDMONDSON, Scott, D.; CHANG, Lehua; KAR, Nam Fung; MORRIELLO, Gregori, J.; MOYES, Christopher, J.; SHEN, Dong-Ming; ZHU, Cheng; ANTHONY, Neville, J.; JONES, Philip; SMITH, Graham, F.; SCOTT, Mark, E.; THOMPSON, Christopher, F.; JUNG, Joon; CAMMARANO, Carolyn; HOFFMAN, Dawn Marie Patent: WO2011/25774 A1, 2011 ; Location in patent: Page/Page column 43-44 ; WO 2011/025774 A1
  • Route3
    • In-stock
      2-Chloro-4-methylpyrimidine|CS-D1513
      13036-57-2
    • null|null
      773837-37-9
    • ~65%
    • In-stock
      4-Methylpyrimidine-2-carbonitrile|CS-W003852
      77768-02-6

    References

    • H. LUNDBECK A/S Patent: US2010/22546 A1, 2010 ; Location in patent: Page/Page column 17 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H317
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   0.6567
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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