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CS-W001157 4
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1-Cyanocyclohexanecarboxylic acid

  • CAS No. 227203-34-1

  • Cat. No. CS-0199044
  • Purity≥97%
  • MDL No.None

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

1-Cyanocyclohexanecarboxylic acid|CS-0199044

Structure of 227203-34-1

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General Information

  • CAS No. 227203-34-1
  • Cat. No. CS-0199044
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁NO₂
  • Molecular Weight 153.18
  • Synonym(s) 1-Cyanocyclohexane-1-carboxylic acid
  • SMILES O=C(C1(C#N)CCCCC1)O

Description

1-Cyanocyclohexanecarboxylic acid features a conjugated nitrile and carboxylic acid group on a cyclohexane ring, enabling robust integration into synthetic scaffolds. This dual-functional moiety supports efficient derivatization in medicinal chemistry and materials science applications under standard conditions.

Application

1-Cyanocyclohexanecarboxylic acid serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling efficient access to cyclohexyl-containing heterocycles and bioactive scaffolds. Its dual functionality—cyano and carboxylic acid groups—facilitates orthogonal transformations, including nucleophilic additions, amidation, and cyclization reactions. The compound exhibits good bench stability and is amenable to standard purification methods, making it well-suited for use in multi-step syntheses and process development workflows.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P405-P501

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.54508
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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