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CS-W001157 4
Total: USD 88.00

2-(4-Hydroxy-3-methoxyphenyl)acetonitrile

  • CAS No. 4468-59-1

  • Cat. No. CS-0315932
  • Purity98+%
  • MDL No.None

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

2-(4-Hydroxy-3-methoxyphenyl)acetonitrile|CS-0315932

Structure of 4468-59-1

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General Information

  • CAS No. 4468-59-1
  • Cat. No. CS-0315932
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂
  • Molecular Weight 163.17
  • Synonym(s) HOMOVANILLONITRILE
  • SMILES COC1=C(C=CC(=C1)CC#N)O

Synthesis

  • Route1
    • 2-(3-Hydroxy-4-methoxyphenyl)acetonitrile|CS-0665537
      4468-58-0
    • ~0%
    • 2-(4-Hydroxy-3-methoxyphenyl)acetonitrile|CS-0315932
      4468-59-1
    • null|null
      81038-47-3
    • null|null
      81038-46-2

    References

    • Archiv der Pharmazie, , vol. 314, # 12 p. 983 - 991
  • Route2

    References

    • Chemistry of Natural Compounds, , vol. 26, # 1 p. 54 - 59 Khimiya Prirodnykh Soedinenii, , # 1 p. 67 - 74
  • Route3
    • null|null
      1058649-06-1
    • null|null
      10442-39-4
    • ~86%
    • 2-(4-Hydroxy-3-methoxyphenyl)acetonitrile|CS-0315932
      4468-59-1

    References

    • Tetrahedron Letters, , vol. 51, # 25 p. 3274 - 3276

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   53.25
  • LogP   1.46688
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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