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CS-W001157 4
Total: USD 88.00

2-(5-Bromopyridin-3-yl)acetonitrile

  • CAS No. 39891-08-2

  • Cat. No. CS-0052264
  • Purity≥96%
  • MDL No.None

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

2-(5-Bromopyridin-3-yl)acetonitrile|CS-0052264

Structure of 39891-08-2

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General Information

  • CAS No. 39891-08-2
  • Cat. No. CS-0052264
  • Purity ≥96%
  • MDL No. None
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrN₂
  • Molecular Weight 197.03
  • Synonym(s) 5-BroMopyridine-3-acetonitrile
  • SMILES BrC1=CN=CC(CC#N)=C1

Synthesis

  • Route1

    References

    • MERCK SHARP and DOHME CORP.; ElexoPharm GmbH; HOYT, Scott, B.; PETRILLI, Whitney Lane; LONDON, Clare; XIONG, Yusheng; TAYLOR, Jerry Andrew; ALI, Amjad; LO, Michael; HENDERSON, Timothy, J.; HU, Qingzhong; HARTMANN, Rolf; YIN, Lina; HEIM, Ralf; BEY, Emmanuel; SAXENA, Rohit; SAMANTA, Swapan Kumar; KULKARNI, Bheemashankar, A. Patent: WO2012/148808 A1, 2012 ; WO 2012/148808 A1
  • Route2
    • null|null
      773837-37-9
    • In-stock
      3-Bromo-5-(chloromethyl)pyridine hydrochloride|CS-0054859
      39741-46-3
    • ~%
    • In-stock
      2-(5-Bromopyridin-3-yl)acetonitrile|CS-0052264
      39891-08-2

    References

    • MERCK SHARP and DOHME CORP.; ElexoPharm GmbH; HOYT, Scott, B.; PETRILLI, Whitney Lane; LONDON, Clare; XIONG, Yusheng; TAYLOR, Jerry Andrew; ALI, Amjad; LO, Michael; HENDERSON, Timothy, J.; HU, Qingzhong; HARTMANN, Rolf; YIN, Lina; HEIM, Ralf; BEY, Emmanuel; SAXENA, Rohit; SAMANTA, Swapan Kumar; KULKARNI, Bheemashankar, A. Patent: WO2012/148808 A1, 2012 ; Location in patent: Page/Page column 78 ; WO 2012/148808 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319-H335
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.91018
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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