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CS-W001157 4
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4,6-Dimethoxyisophthalic acid

  • CAS No. 7168-99-2

  • Cat. No. CS-0331256
  • Purity≥96%
  • MDL No.None

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

4,6-Dimethoxyisophthalic acid|CS-0331256

Structure of 7168-99-2

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General Information

  • CAS No. 7168-99-2
  • Cat. No. CS-0331256
  • Purity ≥96%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₆
  • Molecular Weight 226.18
  • Synonym(s) 4,6-DIMETHOXY-ISOPHTHALIC ACID
  • SMILES COC1=CC(=C(C=C1C(=O)O)C(=O)O)OC

Synthesis

  • Route1
    • null|null
      14965-05-0
    • ~92%
    • 4,6-Dimethoxyisophthalic acid|CS-0331256
      7168-99-2

    References

    • Yuan, Lihua; Sanford, Adam R.; Feng, Wen; Zhang, Aimin; Zhu, Jin; Zeng, Huaqiang; Yamato, Kazuhiro; Li, Minfeng; Ferguson, Joseph S.; Gong, Bing Journal of Organic Chemistry, 2005 , vol. 70, # 26 p. 10660 - 10669
  • Route2

    References

    • Wood et al. Journal of the American Chemical Society, 1950 , vol. 72, p. 2992
  • Route3

    References

    • Yuan, Lihua; Sanford, Adam R.; Feng, Wen; Zhang, Aimin; Zhu, Jin; Zeng, Huaqiang; Yamato, Kazuhiro; Li, Minfeng; Ferguson, Joseph S.; Gong, Bing Journal of Organic Chemistry, 2005 , vol. 70, # 26 p. 10660 - 10669

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

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Computational Chemistry Data

  • TPSA   93.06
  • LogP   1.1002
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   4

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