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CS-W001157 4
Total: USD 88.00

Methyl 3-cyanobenzoate

  • CAS No. 13531-48-1

  • Cat. No. CS-W022828
  • Purity≥97%
  • MDL No.MFCD00220156

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

Methyl 3-cyanobenzoate|CS-W022828

Structure of 13531-48-1

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General Information

  • CAS No. 13531-48-1
  • Cat. No. CS-W022828
  • Purity ≥97%
  • MDL No. MFCD00220156
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₂
  • Molecular Weight 161.16
  • Synonym(s) Mehyl3-Cyanobenzaldehyde
  • SMILES C1=C(C=C(C=C1)C(OC)=O)C#N

Synthesis

  • Route1
    • null|null
      74-88-4
    • ~80%
    • In-stock
      Methyl 3-cyanobenzoate|CS-W022828
      13531-48-1

    References

    • PTC THERAPEUTICS, INC. Patent: WO2007/117438 A2, 2007 ; Location in patent: Page/Page column 260 ;
  • Route2
    • In-stock
      m-Cyanobenzoic acid|CS-D1397
      1877-72-1
    • null|null
      74-88-4
    • ~77%
    • In-stock
      Methyl 3-cyanobenzoate|CS-W022828
      13531-48-1

    References

    • PTC THERAPEUTICS, INC. Patent: WO2008/45566 A1, 2008 ; Location in patent: Page/Page column 24-25 ;
  • Route3
    • null|null
      67-56-1
    • In-stock
      m-Cyanobenzoic acid|CS-D1397
      1877-72-1
    • ~97%
    • In-stock
      Methyl 3-cyanobenzoate|CS-W022828
      13531-48-1

    References

    • Pignataro, Luca; Boghi, Michele; Civera, Monica; Carboni, Stefano; Piarulli, Umberto; Gennari, Cesare Chemistry - A European Journal, 2012 , vol. 18, # 5 p. 1383 - 1400

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   1.34488
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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