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CS-W001157 4
Total: USD 88.00

Methyl 2-chloro-5-cyanobenzoate

  • CAS No. 914106-36-8

  • Cat. No. CS-0046257
  • Purity≥97%
  • MDL No.MFCD13192027

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

Methyl 2-chloro-5-cyanobenzoate|CS-0046257

Structure of 914106-36-8

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General Information

  • CAS No. 914106-36-8
  • Cat. No. CS-0046257
  • Purity ≥97%
  • MDL No. MFCD13192027
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNO₂
  • Molecular Weight 195.60
  • Synonym(s) benzoic acid, 2-chloro-5-cyano-, methyl ester
  • SMILES O=C(OC)C1=CC(C#N)=CC=C1Cl

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      2-Chloro-5-cyanobenzoic acid|CS-0132512
      89891-83-8
    • ~91%
    • In-stock
      Methyl 2-chloro-5-cyanobenzoate|CS-0046257
      914106-36-8

    References

    • THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL Patent: EP1719767 A1, 2006 ; Location in patent: Page/Page column 24-28; 41 ;
  • Route2

    References

    • Patrick, Donald A.; Bakunov, Stanislav A.; Bakunova, Svetlana M.; Kumar, E.V.K. Suresh; Lombardy, Richard J.; Jones, Susan Kilgore; Bridges, Arlene S.; Zhirnov, Oksana; Hall, James Edwin; Wenzler, Tanja; Brun, Reto; Tidwell, Richard R. Journal of Medicinal Chemistry, 2007 , vol. 50, # 10 p. 2468 - 2485

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   50.09
  • LogP   1.99828
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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