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CS-W001157 4
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3-(Cyanomethyl)benzonitrile

  • CAS No. 16532-78-8

  • Cat. No. CS-0447739
  • Purity≥98%
  • MDL No.None

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

3-(Cyanomethyl)benzonitrile|CS-0447739

Structure of 16532-78-8

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General Information

  • CAS No. 16532-78-8
  • Cat. No. CS-0447739
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆N₂
  • Molecular Weight 142.16
  • Synonym(s) (3-cyano-phenyl)-acetonitrile
  • SMILES C1=CC(=CC(=C1)C#N)CC#N

Synthesis

  • Route1

    References

    • Astles, Peter C.; Eastwood, Paul R.; Houille, Olivier; Levell, Julian; Pauls, Heinz; Czekaj, Mark; Liang, Guyan; Gong, Yong; Pribish, James; Neuenschwander, Kent Patent: US2003/187020 A1, 2003 ;
  • Route2

    References

    • PHARMAGENE LABORATORIES LIMITED Patent: WO2005/80367 A1, 2005 ; Location in patent: Page/Page column 164 ;
  • Route3

    References

    • Shang, Rui; Ji, Dong-Sheng; Chu, Ling; Fu, Yao; Liu, Lei Angewandte Chemie - International Edition, 2011 , vol. 50, # 19 p. 4470 - 4474

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   47.58
  • LogP   1.62436
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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