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CS-W001157 4
Total: USD 88.00

4-(Oxiran-2-yl)benzonitrile

  • CAS No. 52695-39-3

  • Cat. No. CS-0248512
  • Purity95+%
  • MDL No.None

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

4-(Oxiran-2-yl)benzonitrile|CS-0248512

Structure of 52695-39-3

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General Information

  • CAS No. 52695-39-3
  • Cat. No. CS-0248512
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO
  • Molecular Weight 145.16
  • Synonym(s) 4-oxiran-2-ylbenzonitrile
  • SMILES N#CC1=CC=C(C2OC2)C=C1

Synthesis

  • Route1

    References

    • AstraZeneca AB Patent: US6291475 B1, 2001 ; US 6291475 B1
  • Route2

    References

    • VIFOR (INTERNATIONAL) AG Patent: US2012/214798 A1, 2012 ;
  • Route3

    References

    • Ilyashenko, Gennadiy; De Faveri, Giorgio; Follier, Thomas; Al-Safadi, Rawan; Motevalli, Majid; Watkinson, Michael Organic and Biomolecular Chemistry, 2014 , vol. 12, # 7 p. 1124 - 1134

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   36.32
  • LogP   1.62958
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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