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CS-W001157 4
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Methyl 4-(cyanomethoxy)benzoate

  • CAS No. 137988-24-0

  • Cat. No. CS-0235259
  • Molecule weight191.18
  • Purity≥98%
  • MDL No.None

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

Methyl 4-(cyanomethoxy)benzoate|CS-0235259

Structure of 137988-24-0

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General Information

  • CAS No. 137988-24-0
  • Cat. No. CS-0235259
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₃
  • Molecular Weight 191.18
  • Synonym(s) Benzoic acid, 4-(cyanomethoxy)-, methyl ester
  • SMILES COC(=O)C1=CC=C(C=C1)OCC#N

Synthesis

  • Route1

    References

    • Kaarsholm, Niels Christian; Madsen, Peter; Schlein, Morten; Olsen, Helle Birk; Havelund, Svend; Steensgaard, Dorte Bjerre; Ludvigsen, Svend; Jakobsen, Palle; Petersen, Anders Klarskov; Schluckebier, Gerd Patent: US2005/65066 A1, 2005 ; Location in patent: Page/Page column 142 ;
  • Route2

    References

    • Benarab; Boye; Savelon; Guillaumet Tetrahedron Letters, 1993 , vol. 34, # 47 p. 7567 - 7568

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   59.32
  • LogP   1.37558
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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