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CS-W001157 4
Total: USD 88.00

4-(4-Chlorophenyl)piperidine-4-carbonitrile

  • CAS No. 91721-16-3

  • Cat. No. CS-0157546
  • Molecule weight220.70
  • Purity≥98%
  • MDL No.MFCD11878513

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

4-(4-Chlorophenyl)piperidine-4-carbonitrile|CS-0157546

Structure of 91721-16-3

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General Information

  • CAS No. 91721-16-3
  • Cat. No. CS-0157546
  • Purity ≥98%
  • MDL No. MFCD11878513
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃ClN₂
  • Molecular Weight 220.70
  • Synonym(s) 4-Piperidinecarbonitrile,4-(4-chlorophenyl)
  • SMILES C1=C(C=CC(=C1)Cl)C2(CCNCC2)C#N

Synthesis

  • Route1
    • tert-Butyl 4-(4-chlorophenyl)-4-cyanopiperidine-1-carboxylate|CS-0133031
      218451-34-4
    • ~97%
    • 4-(4-Chlorophenyl)piperidine-4-carbonitrile|CS-0157546
      91721-16-3

    References

    • ASTEX THERAPEUTICS LIMITED; THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL; ASTRAZENECA AB Patent: WO2006/136829 A2, 2006 ; Location in patent: Page/Page column 119-120 ; WO 2006/136829 A2
  • Route2
    • null|null
      644981-92-0
    • ~%
    • 4-(4-Chlorophenyl)piperidine-4-carbonitrile|CS-0157546
      91721-16-3

    References

    • GLAXO GROUP LIMITED Patent: WO2004/5256 A2, 2004 ; Location in patent: Page 34 ; WO 2004/005256 A2
  • Route3

    References

    • ChemoCentryx, Inc. Patent: US2007/88036 A1, 2007 ; Location in patent: Page/Page column 16 ; US 20070088036 A1

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

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Computational Chemistry Data

  • TPSA   35.82
  • LogP   2.48478
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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