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3-Benzylbenzonitrile

  • CAS No. 93717-55-6

  • Cat. No. CS-0017913
  • Molecule weight193.24
  • Purity≥98%
  • MDL No.MFCD20489239

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

3-Benzylbenzonitrile|CS-0017913

Structure of 93717-55-6

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General Information

  • CAS No. 93717-55-6
  • Cat. No. CS-0017913
  • Purity ≥98%
  • MDL No. MFCD20489239
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁N
  • Molecular Weight 193.24
  • Synonym(s) None
  • SMILES N#CC1=CC=CC(CC2=CC=CC=C2)=C1

Synthesis

  • Route1

    References

    • Shaber, Steven Howard; Yap, Maurice Chee Hoong; Meyer, Kevin Gerald; Niyaz, Noormohamed Mohamed; Rieder, Brent Jeffrey; Sullenberger, Michael Thomas; Erickson, William Randal; Smith, Frisby Davis Patent: US2006/252755 A1, 2006 ; Location in patent: Page/Page column 34 ; Title/Abstract Full Text Show Details Meyer, Kevin Gerald; Shaber, Steven Howard; Yap, Maurice Chee Hoong; Niyaz, Noormohamed Mohamed; Rieder, Brent Jeffrey; Sullenberger, Michael Thomas; Erickson, William Randal; Smith, Frisby Davis Patent: US2006/252755 A1, 2006 ; Location in patent: Page/Page column 34 ;
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    References

    • THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF HEALTH AND HUMAN SERVICES, NATIONAL INSTITUTES OF HEALTH, OFFICE OF TECHNOLOGY TRANSFER Patent: WO2009/26248 A2, 2009 ; Location in patent: Page/Page column 53; 54 ;
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    References

    • Amatore, Muriel; Gosmini, Corinne Chemical Communications, 2008 , # 40 p. 5019 - 5021

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   23.79
  • LogP   3.14908
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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