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CS-W001157 4
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2-Propoxybenzonitrile

  • CAS No. 6609-58-1

  • Cat. No. CS-0365083
  • Molecule weight161.20
  • Purity95+%
  • MDL No.None

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

2-Propoxybenzonitrile|CS-0365083

Structure of 6609-58-1

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General Information

  • CAS No. 6609-58-1
  • Cat. No. CS-0365083
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO
  • Molecular Weight 161.20
  • Synonym(s) None
  • SMILES CCCOC1=CC=CC=C1C#N

Synthesis

  • Route1
    • 2-Propoxybenzamide|CS-0365084
      59643-84-4
    • ~85%
    • 2-Propoxybenzonitrile|CS-0365083
      6609-58-1

    References

    • Jasem, Yosef Al; Barkhad, Mohamed; Khazali, Mona Al; Butt, Hifsa Pervez; El-Khwass, Noha Ashraf; Azani, Mariam Al; Hindawi, Bassam Al; Thiemann, Thies Journal of Chemical Research, 2014 , vol. 38, # 2 p. 80 - 84
  • Route2

    References

    • Bayer Aktiengesellschaft Patent: EP1174431 A2, 2002 ; Location in patent: Page 40 ;
  • Route3

    References

    • Bayer Aktiengesellschaft Patent: US6362178 B1, 2002 ;

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.34708
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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