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CS-W001157 4
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Dimethyl 5-chloroisophthalate

  • CAS No. 20330-90-9

  • Cat. No. CS-0149581
  • Purity≥98%
  • MDL No.MFCD00079752

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

Dimethyl 5-chloroisophthalate|CS-0149581

Structure of 20330-90-9

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General Information

  • CAS No. 20330-90-9
  • Cat. No. CS-0149581
  • Purity ≥98%
  • MDL No. MFCD00079752
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉ClO₄
  • Molecular Weight 228.63
  • Synonym(s) 1,3-Benzenedicarboxylic acid, 5-chloro-, dimethyl ester
  • SMILES O=C(C1=CC(Cl)=CC(C(OC)=O)=C1)OC

Description

Dimethyl 5-chloroisophthalate serves as a key diester intermediate in the synthesis of high-performance polymers and functionalized aromatic compounds. This bench-stable, moisture-tolerant reagent features a para-chlorinated aromatic core that enables selective derivatization under standard conditions. The ester groups facilitate straightforward hydrolysis or nucleophilic substitution, while the chlorine substituent provides a handle for cross-coupling reactions.

Synthesis

  • Route1
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      2855-02-9
    • ~%
    • In-stock
      Dimethyl 5-chloroisophthalate|CS-0149581
      20330-90-9

    References

    • Journal of the American Chemical Society, , vol. 70, p. 3518
  • Route2
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      99-63-8
    • ~%
    • In-stock
      Dimethyl 5-chloroisophthalate|CS-0149581
      20330-90-9

    References

    • Journal of the American Chemical Society, , vol. 70, p. 3518
  • Route3
    • null|null
      67-56-1
    • In-stock
      5-Chloroisophthalic Acid|CS-0060192
      2157-39-3
    • ~%
    • In-stock
      Dimethyl 5-chloroisophthalate|CS-0149581
      20330-90-9

    References

    • Journal of the American Chemical Society, , vol. 70, p. 3518

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

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.9132
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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