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CS-W001157 4
Total: USD 88.00

cis-Cyclohexane-1,4-dicarboxylic acid

  • CAS No. 619-81-8

  • Cat. No. CS-0042323
  • Purity≥90%
  • MDL No.MFCD00064950

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

cis-Cyclohexane-1,4-dicarboxylic acid|CS-0042323

Structure of 619-81-8

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General Information

  • CAS No. 619-81-8
  • Cat. No. CS-0042323
  • Purity ≥90%
  • MDL No. MFCD00064950
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₄
  • Molecular Weight 172.18
  • Synonym(s) Cis-1,4-Cyclohexanedicarboxylic Acid
  • SMILES C(O)(=O)[C@H]1CC[C@@H](C(O)=O)CC1

Description

cis-Cyclohexane-1,4-dicarboxylic acid features a rigid, symmetric backbone with carboxyl groups positioned on the same face of the cyclohexane ring. This stereochemistry enables predictable coordination in metal-organic frameworks and enhances solubility in polar solvents compared to its trans isomer. The molecule's defined geometry supports precise molecular assembly in supramolecular systems.

Application

cis-Cyclohexane-1,4-dicarboxylic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of rigid, spatially defined scaffolds. Its trans-diaxial carboxylic acid functionality facilitates controlled derivatization and coordination chemistry. The compound exhibits excellent bench stability, tolerates diverse functional groups, and is readily employed in the synthesis of heterocycles, macrocyclic systems, and chiral ligands via standard coupling protocols.

Safety Information

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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-P330-P362+P364-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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