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CS-W001157 4
Total: USD 88.00

trans-Cyclohexane-1,3-dicarboxylic acid

  • CAS No. 2305-30-8

  • Cat. No. CS-0047745
  • Purity≥97%
  • MDL No.MFCD01311241

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

trans-Cyclohexane-1,3-dicarboxylic acid|CS-0047745

Structure of 2305-30-8

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General Information

  • CAS No. 2305-30-8
  • Cat. No. CS-0047745
  • Purity ≥97%
  • MDL No. MFCD01311241
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₄
  • Molecular Weight 172.18
  • Synonym(s) None
  • SMILES C(O)(=O)[C@H]1C[C@H](C(O)=O)CCC1

Description

trans-Cyclohexane-1,3-dicarboxylic acid features a rigid, symmetric backbone with two carboxylic acid groups in trans configuration, enhancing its stability and solubility in polar solvents. This stereochemical arrangement facilitates precise molecular recognition in supramolecular systems and serves as a robust scaffold for chiral ligand development and polymer synthesis under standard conditions.

Application

trans-Cyclohexane-1,3-dicarboxylic acid serves as a rigid, conformationally defined scaffold for the synthesis of heterocyclic compounds and bioactive molecules. Its well-defined stereochemistry enables predictable regioselective functionalization, while the carboxylic acid groups offer versatile handles for amide coupling, esterification, and metal coordination. The compound exhibits excellent bench stability and facilitates straightforward purification, making it a practical building block in medicinal chemistry and materials science applications.

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   0.962
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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