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CS-W001157 4
Total: USD 88.00

2-(Piperazin-1-yl)benzonitrile

  • CAS No. 111373-03-6

  • Cat. No. CS-W016848
  • Molecule weight187.25
  • Purity≥98%
  • MDL No.MFCD00040793

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

2-(Piperazin-1-yl)benzonitrile|CS-W016848

Structure of 111373-03-6

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General Information

  • CAS No. 111373-03-6
  • Cat. No. CS-W016848
  • Purity ≥98%
  • MDL No. MFCD00040793
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃N₃
  • Molecular Weight 187.25
  • Synonym(s) 1-(2-Cyanophenyl)piperazine
  • SMILES N#CC1=CC=CC=C1N2CCNCC2

Synthesis

  • Route1
    • null|null
      110-85-0
    • null|null
      1194-02-1
    • ~86%
    • In-stock
      2-(Piperazin-1-yl)benzonitrile|CS-W016848
      111373-03-6

    References

    • Fang, Xinqin; Garvey, David S.; Gaston, Ricky D.; Lin, Chia-En; Ranatunga, Ramani R.; Richardson, Stewart K.; Wang, Tiansheng; Wang, Weiheng; Wey, Shiow-Jyi Patent: US2003/203915 A1, 2003 ;
  • Route2

    References

    • Meiji Seika Kaisha, Ltd. Patent: US6355642 B1, 2002 ; Location in patent: Page column 24 ;
  • Route3
    • null|null
      110-85-0
    • In-stock
      2-Chlorobenzonitrile|CS-W018317
      873-32-5
    • ~35%
    • In-stock
      2-(Piperazin-1-yl)benzonitrile|CS-W016848
      111373-03-6

    References

    • Eckert, Jeffrey; Chan, Tze-Ming; Osterman, Rebecca M.; Lambert, Joseph B.; Gala, Dinesh Tetrahedron Letters, 1999 , vol. 40, # 31 p. 5661 - 5665

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.06
  • LogP   0.96788
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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