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CS-W001157 4
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5-Methylbenzofuran-3(2H)-one

  • CAS No. 54120-66-0

  • Cat. No. CS-0331827
  • Purity≥97%
  • MDL No.None

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

5-Methylbenzofuran-3(2H)-one|CS-0331827

Structure of 54120-66-0

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General Information

  • CAS No. 54120-66-0
  • Cat. No. CS-0331827
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₂
  • Molecular Weight 148.16
  • Synonym(s) 5-Methyl-3(2h)-benzofuranone
  • SMILES O=C1COC2=CC=C(C)C=C12

Synthesis

  • Route1
    • null|null
      960063-93-8
    • ~%
    • 5-Methylbenzofuran-3(2H)-one|CS-0331827
      54120-66-0

    References

    • Hadj-esfandiari, Narges; Navidpour, Latifeh; Shadnia, Hooman; Amini, Mohsen; Samadi, Nasrin; Faramarzi, Mohammad Ali; Shafiee, Abbas Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 22 p. 6354 - 6363
  • Route2
    • null|null
      51317-87-4
    • ~%
    • 5-Methylbenzofuran-3(2H)-one|CS-0331827
      54120-66-0

    References

    • Deshpande, A.R.; Paradkar, M.V. Synthetic Communications, 1990 , vol. 20, # 6 p. 809 - 816
  • Route3

    References

    • Deshpande, A.R.; Paradkar, M.V. Synthetic Communications, 1990 , vol. 20, # 6 p. 809 - 816

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.57012
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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