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CS-W001157 4
Total: USD 88.00

2-(5-Bromopyrimidin-2-yl)acetonitrile

  • CAS No. 831203-15-7

  • Cat. No. CS-W006610
  • Purity≥96%
  • MDL No.MFCD11111850

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

2-(5-Bromopyrimidin-2-yl)acetonitrile|CS-W006610

Structure of 831203-15-7

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General Information

  • CAS No. 831203-15-7
  • Cat. No. CS-W006610
  • Purity ≥96%
  • MDL No. MFCD11111850
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄BrN₃
  • Molecular Weight 198.02
  • Synonym(s) 5-Bromo-2-pyrimidineacetonitrile
  • SMILES BrC1=CN=C(N=C1)CC#N

Synthesis

  • Route1
    • Tert-butyl 2-(5-bromopyrimidin-2-yl)-2-cyanoacetate|CS-0508790
      1305329-97-8
    • ~69%
    • 2-(5-Bromopyrimidin-2-yl)acetonitrile|CS-W006610
      831203-15-7

    References

    • Ding, Qingjie; Jiang, Nan; Liu, Jin-Jun; Zhang, Jing; Zhang, Zhuming Patent: US2011/118283 A1, 2011 ; Location in patent: Page/Page column 14 ;
  • Route2
    • Ethyl 2-(5-bromopyrimidin-2-yl)-2-cyanoacetate|CS-0669373
      65364-66-1
    • ~42%
    • 2-(5-Bromopyrimidin-2-yl)acetonitrile|CS-W006610
      831203-15-7

    References

    • BAYER CROPSCIENCE SA Patent: WO2006/117358 A1, 2006 ; Location in patent: Page/Page column 37 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   1.30518
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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