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3-Methoxy-2,5-toluquinone

  • CAS No. 611-68-7

  • Cat. No. CS-0550066
  • Purity≥98%
  • MDL No.MFCD01663090

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

3-Methoxy-2,5-toluquinone|CS-0550066

Structure of 611-68-7

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General Information

  • CAS No. 611-68-7
  • Cat. No. CS-0550066
  • Purity ≥98%
  • MDL No. MFCD01663090
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₃
  • Molecular Weight 152.15
  • Synonym(s) None
  • SMILES O=C1C=C(OC)C(=O)C(=C1)C

Synthesis

  • Route1

    References

    • Engler, Thomas A.; Sampath, Umashanker; Naganathan, Sriram; Velde, David Vander; Takusagawa, Fusao Journal of Organic Chemistry, 1989 , vol. 54, # 24 p. 5712 - 5727
  • Route2

    References

    • Bernini, Roberta; Mincione, Enrico; Barontini, Maurizio; Fabrizi, Giancarlo; Pasqualetti, Marcella; Tempesta, Sabrina Tetrahedron, 2006 , vol. 62, # 33 p. 7733 - 7737
  • Route3

    References

    • Singh, Udai S.; Scannell, Ralph T.; An, Haoyun; Carter, Barbara J.; Hecht, Sidney M. Journal of the American Chemical Society, 1995 , vol. 117, # 51 p. 12691 - 12699

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.6148
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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