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β-Oxo-2-benzofuranpropanenitrile

  • CAS No. 5149-69-9

  • Cat. No. CS-0062611
  • Molecule weight185.18
  • Purity95+%
  • MDL No.MFCD00047286

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

β-Oxo-2-benzofuranpropanenitrile|CS-0062611

Structure of 5149-69-9

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General Information

  • CAS No. 5149-69-9
  • Cat. No. CS-0062611
  • Purity 95+%
  • MDL No. MFCD00047286
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇NO₂
  • Molecular Weight 185.18
  • Synonym(s) 3-(1-Benzofuran-2-yl)-3-oxopropanenitrile
  • SMILES O=C(C1=CC2=CC=CC=C2O1)CC#N

Synthesis

  • Route1

    References

    • Burgaz, E. Vildan; Yilmaz, Mehmet; Pekel, A. Tarik; Oektemer, Atilla Tetrahedron, 2007 , vol. 63, # 30 p. 7229 - 7239
  • Route2

    References

    • Burger; Deinet Journal of the American Chemical Society, 1945 , vol. 67, p. 566,568 Full Text Show Details Kodak Ltd. Patent: GB478942 , 1936 ;
  • Route3

    References

    • Baraldi, Pier Giovanni Patent: US2001/47008 A1, 2001 ;

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-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   54
  • LogP   2.52918
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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