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CS-W001157 4
Total: USD 88.00

Dimethyl 5-cyanoisophthalate

  • CAS No. 23340-69-4

  • Cat. No. CS-0199048
  • Purity≥97%
  • MDL No.None

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

Dimethyl 5-cyanoisophthalate|CS-0199048

Structure of 23340-69-4

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General Information

  • CAS No. 23340-69-4
  • Cat. No. CS-0199048
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₄
  • Molecular Weight 219.19
  • Synonym(s) Dimethyl 5-cyanobenzene-1,3-dicarboxylate
  • SMILES COC(=O)C1=CC(=CC(=C1)C#N)C(=O)OC

Synthesis

  • Route1
    • null|null
      557-21-1
    • Dimethyl 5-(((trifluoromethyl)sulfonyl)oxy)isophthalate|CS-0515451
      168619-21-4
    • ~58%
    • Dimethyl 5-cyanoisophthalate|CS-0199048
      23340-69-4

    References

    • MEDIVIR AB Patent: WO2008/119772 A1, 2008 ; Location in patent: Page/Page column 72 ; WO 2008/119772 A1
  • Route2

    References

    • Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 438 - 446

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   76.39
  • LogP   1.13148
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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