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CS-W001157 4
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Methyl 4-(3-cyanophenyl)benzoate

  • CAS No. 89900-92-5

  • Cat. No. CS-0211779
  • Purity≥98%
  • MDL No.MFCD05981877

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

Methyl 4-(3-cyanophenyl)benzoate|CS-0211779

Structure of 89900-92-5

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General Information

  • CAS No. 89900-92-5
  • Cat. No. CS-0211779
  • Purity ≥98%
  • MDL No. MFCD05981877
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₁NO₂
  • Molecular Weight 237.25
  • Synonym(s) METHYL 3'-CYANO[1,1'-BIPHENYL]-4-CARBOXYLATE
  • SMILES COC(=O)C1=CC=C(C=C1)C2=CC=CC(=C2)C#N

Synthesis

  • Route1

    References

    • Zhu, Lei; Duquette, Jason; Zhang, Mingbao Journal of Organic Chemistry, 2003 , vol. 68, # 9 p. 3729 - 3732
  • Route2

    References

    • Zhu, Lei; Duquette, Jason; Zhang, Mingbao Journal of Organic Chemistry, 2003 , vol. 68, # 9 p. 3729 - 3732
  • Route3
    • null|null
      67-56-1
    • 4-(3-Cyanophenyl)benzoic acid|CS-0206356
      5728-45-0
    • ~%
    • Methyl 4-(3-cyanophenyl)benzoate|CS-0211779
      89900-92-5

    References

    • Ananthakrishnanadar, Ponnambalanad.; Kannan, Nagarathnam Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1984 , # 1 p. 35 - 38

Safety Information

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Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   3.01188
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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