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CS-W001157 4
Total: USD 88.00

3-Cyanocinnamic acid

  • CAS No. 16642-93-6

  • Cat. No. CS-0210722
  • Molecule weight173.17
  • Purity≥98%
  • MDL No.MFCD00182407

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

3-Cyanocinnamic acid|CS-0210722

Structure of 16642-93-6

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General Information

  • CAS No. 16642-93-6
  • Cat. No. CS-0210722
  • Purity ≥98%
  • MDL No. MFCD00182407
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO₂
  • Molecular Weight 173.17
  • Synonym(s) 2-PROPENOIC ACID, 3-(3-CYANOPHENYL)-
  • SMILES C1=CC(=CC(=C1)C#N)/C=C/C(=O)O

Synthesis

  • Route1
    • null|null
      141-82-2
    • In-stock
      3-Cyanobenzaldehyde|CS-W007808
      24964-64-5
    • ~79%
    • In-stock
      3-Cyanocinnamic acid|CS-0210722
      16642-93-6

    References

    • Legoabe, Lesetja; Kruger, Johann; Petzer, Anel; Bergh, Jacobus J.; Petzer, Jacobus P. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 10 p. 5162 - 5174
  • Route2
    • In-stock
      3-Bromobenzonitrile|CS-W003968
      6952-59-6
    • null|null
      79-10-7
    • ~79%
    • In-stock
      3-Cyanocinnamic acid|CS-0210722
      16642-93-6

    References

    • Stadler, Alexander; Yousefi, Behrooz H.; Dallinger, Doris; Walla, Peter; Van Der Eycken, Erik; Kaval, Nadya; Kappe, C. Oliver Organic Process Research and Development, 2003 , vol. 7, # 5 p. 707 - 716
  • Route3
    • Methyl(E)-3-(3-cyanophenyl)acrylate|CS-0172478
      193151-10-9
    • ~97%
    • In-stock
      3-Cyanocinnamic acid|CS-0210722
      16642-93-6

    References

    • Bristol-Myers Squibb Pharma Company Patent: EP934265 B1, 2003 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.65608
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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