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CS-W001157 4
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4-(3-Hydroxyprop-1-yn-1-yl)benzonitrile

  • CAS No. 80151-16-2

  • Cat. No. CS-0331031
  • Purity≥97%
  • MDL No.None

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

4-(3-Hydroxyprop-1-yn-1-yl)benzonitrile|CS-0331031

Structure of 80151-16-2

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General Information

  • CAS No. 80151-16-2
  • Cat. No. CS-0331031
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO
  • Molecular Weight 157.17
  • Synonym(s) 4-(3-Hydroxyprop-1-ynyl)benzonitrile
  • SMILES C(#CC1=CC=C(C=C1)C#N)CO

Synthesis

  • Route1

    References

    • Nowak-Krol, Agnieszka; Koszarna, Beata; Yoo, Su Yeon; Chrominski, Jan; Weclawski, Marek K.; Lee, Chang-Hee; Gryko, Daniel T. Journal of Organic Chemistry, 2011 , vol. 76, # 8 p. 2627 - 2634
  • Route2

    References

    • Togninelli, Andrea; Gevariya, Harsukh; Alongi, Maddalena; Botta, Maurizio Tetrahedron Letters, 2007 , vol. 48, # 28 p. 4801 - 4803
  • Route3

    References

    • Matouosva, Eliska; Ruzicka, Ales; Kunes, Jiri; Kralova, Jarmila; Pour, Milan Chemical Communications, 2011 , vol. 47, # 33 p. 9390 - 9392

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   0.90208
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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