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CS-W001157 4
Total: USD 88.00

4-Bromo-1,1-difluorocyclohexane

  • CAS No. 1196156-51-0

  • Cat. No. CS-0051024
  • Purity≥98%
  • MDL No.None

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

4-Bromo-1,1-difluorocyclohexane|CS-0051024

Structure of 1196156-51-0

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General Information

  • CAS No. 1196156-51-0
  • Cat. No. CS-0051024
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉BrF₂
  • Molecular Weight 199.04
  • Synonym(s) None
  • SMILES FC1(F)CCC(Br)CC1

Description

4-Bromo-1,1-difluorocyclohexane features a cyclohexane ring with strategic fluorine and bromine substituents at adjacent positions, enabling selective functionalization in synthetic workflows. The 1,1-difluoro motif imparts enhanced metabolic stability and lipophilicity, while the C–Br bond facilitates palladium-catalyzed cross-coupling reactions. This compound serves as a key intermediate for bioactive molecule synthesis.

Application

4-Bromo-1,1-difluorocyclohexane serves as a versatile building block in medicinal chemistry and synthetic organic chemistry, enabling the introduction of both bromine and difluoromethylene motifs into complex molecular architectures. Its bench-stable nature and compatibility with palladium-catalyzed cross-coupling reactions facilitate efficient C–C bond formation. The 1,1-difluoro substitution enhances metabolic stability and modulates lipophilicity, while the bromine handle allows for diverse downstream functionalization, making it a practical reagent for scaffold diversification in API development.

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 : H227-H315-H319-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.9592
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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