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CS-W001157 4
Total: USD 88.00

Cyclohexane-1,3-dicarboxylic acid

  • CAS No. 3971-31-1

  • Cat. No. CS-W022620
  • Purity≥97%
  • MDL No.MFCD00134411

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

Cyclohexane-1,3-dicarboxylic acid|CS-W022620

Structure of 3971-31-1

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General Information

  • CAS No. 3971-31-1
  • Cat. No. CS-W022620
  • Purity ≥97%
  • MDL No. MFCD00134411
  • 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 O=C(O)C1CCCC(C(=O)O)C1

Description

Cyclohexane-1,3-dicarboxylic acid features a rigid cyclohexane core with carboxylic acid groups at the 1 and 3 positions, enabling precise spatial control in molecular design. This symmetric, bench-stable diacid integrates readily into polymer backbones and serves as a key building block in macrocyclic and supramolecular architectures.

Application

Cyclohexane-1,3-dicarboxylic acid serves as a versatile scaffold for the synthesis of heterocyclic compounds and functionalized cyclohexanes. Its 1,3-dicarboxylic motif enables efficient derivatization via esterification, amide formation, and decarboxylation reactions. The molecule exhibits good bench stability and facilitates orthogonal functional group manipulation, 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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-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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