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CS-W001157 4
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4-Bromoisophthalic acid

  • CAS No. 6939-93-1

  • Cat. No. CS-0008439
  • Purity≥97%
  • MDL No.MFCD00002404

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

4-Bromoisophthalic acid|CS-0008439

Structure of 6939-93-1

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General Information

  • CAS No. 6939-93-1
  • Cat. No. CS-0008439
  • Purity ≥97%
  • MDL No. MFCD00002404
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrO₄
  • Molecular Weight 245.03
  • Synonym(s) 4-Bromo-1,3-benzenedicarboxylic acid; 4-Bromoisophthalic acid; 4-Bromobenzene-1,3-dicarboxylic acid
  • SMILES O=C(O)C1=CC=C(Br)C(=C1)C(=O)O

Description

4-Bromoisophthalic acid features a brominated aromatic ring flanked by two carboxylic acid groups, enabling versatile coupling reactions in pharmaceutical and materials synthesis. This electron-deficient diacid integrates readily into polyesters and conjugated systems, offering enhanced stability under standard conditions.

Synthesis

  • Route1

    References

    • Yang, Yixi; Mannion, Michael R.; Dawe, Louise N.; Kraml, Christina M.; Pascal, Robert A.; Bodwell, Graham J. Journal of Organic Chemistry, 2012 , vol. 77, # 1 p. 57 - 67
  • Route2

    References

    • DE745447 , ; DRP/DRBP Org.Chem.
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 5, p. 290,297

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

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   1.8455
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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