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CS-W001157 4
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Diethyl isophthalate

  • CAS No. 636-53-3

  • Cat. No. CS-W018868
  • Purity≥98%
  • MDL No.MFCD01717556

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

Diethyl isophthalate|CS-W018868

Structure of 636-53-3

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General Information

  • CAS No. 636-53-3
  • Cat. No. CS-W018868
  • Purity ≥98%
  • MDL No. MFCD01717556
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₄
  • Molecular Weight 222.24
  • Synonym(s) Diethyl m-phthalate
  • SMILES O=C(OCC)C1=CC=CC(C(OCC)=O)=C1

Description

Diethyl isophthalate serves as a stable, bench-ready diester derivative of isophthalic acid, featuring two ethyl ester groups flanking a rigid aromatic core. This structural configuration enables its use in polymer synthesis and as a solvent in specialized formulations, where resistance to hydrolysis under standard conditions enhances handling reliability.

Application

Diethyl isophthalate serves as a versatile diester building block in synthetic organic chemistry, enabling efficient access to aromatic polyesters and functionalized heterocycles. Its stable ethyl ester groups tolerate a range of reaction conditions, facilitating selective transformations such as hydrolysis, reduction, or coupling reactions. The rigid ortho-substituted benzene core provides structural integrity for applications in polymer synthesis and medicinal chemistry scaffolds.

Synthesis

  • Route1

    References

    • Synthesis, , # 1 p. 40 - 45
  • Route2

    References

    • Journal of the Chemical Society, , vol. 69, p. 1241 Journal of the Chemical Society, , vol. 77, p. 278
  • Route3
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      64-17-5
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      99-63-8
    • ~%
    • In-stock
      Diethyl isophthalate|CS-W018868
      636-53-3

    References

    • Journal of Molecular Structure, , vol. 554, # 2-3 p. 211 - 223

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.04
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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