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CS-W001157 4
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3-Cyano-3-phenylpropanoic acid

  • CAS No. 14387-18-9

  • Cat. No. CS-0156514
  • Purity≥97%
  • MDL No.MFCD03032627

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

3-Cyano-3-phenylpropanoic acid|CS-0156514

Structure of 14387-18-9

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General Information

  • CAS No. 14387-18-9
  • Cat. No. CS-0156514
  • Purity ≥97%
  • MDL No. MFCD03032627
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) Hydrocinnamicacid,b-cyano-(8CI)
  • SMILES C1=CC=C(C=C1)C(CC(=O)O)C#N

Synthesis

  • Route1
    • null|null
      140-29-4
    • null|null
      79-11-8
    • ~79%
    • 3-Cyano-3-phenylpropanoic acid|CS-0156514
      14387-18-9

    References

    • Makosza; Marcinowicz Synthesis, 2001 , # 9 p. 1311 - 1312
  • Route2
    • null|null
      151-50-8
    • Diethyl 2-benzylidenemalonate|CS-0102405
      5292-53-5
    • ~%
    • 3-Cyano-3-phenylpropanoic acid|CS-0156514
      14387-18-9

    References

    • Wideqvist Arkiv foer Kemi, 1940 , vol. 14 B, # 19 p. 2,4 Svensk Kemisk Tidskrift, 1942 , vol. 54, p. 34,40
  • Route3
    • null|null
      14025-83-3
    • ~%
    • 3-Cyano-3-phenylpropanoic acid|CS-0156514
      14387-18-9

    References

    • Bredt, Kallen Justus Liebigs Annalen der Chemie, 1896 , vol. 293, p. 342

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

Quality Control

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.76848
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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