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CS-W001157 4
Total: USD 88.00

4-Bromo-6-(trifluoromethyl)-1H-indole

  • CAS No. 1000342-93-7

  • Cat. No. CS-0041318
  • Purity≥96%
  • MDL No.MFCD09026955

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

4-Bromo-6-(trifluoromethyl)-1H-indole|CS-0041318

Structure of 1000342-93-7

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General Information

  • CAS No. 1000342-93-7
  • Cat. No. CS-0041318
  • Purity ≥96%
  • MDL No. MFCD09026955
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅BrF₃N
  • Molecular Weight 264.04
  • Synonym(s) 1H-Indole, 4-broMo-6-(trifluoroMethyl)-
  • SMILES FC(C1=CC2=C(C(Br)=C1)C=CN2)(F)F

Description

4-Bromo-6-(trifluoromethyl)-1H-indole features a sterically accessible indole core functionalized with a bromine at C4 and a trifluoromethyl group at C6, enabling direct coupling in cross-coupling reactions. The electron-deficient nature of the trifluoromethyl substituent enhances reactivity in palladium-catalyzed transformations. This compound serves as a key building block for bioactive heterocycles in medicinal chemistry and materials science.

Application

4-Bromo-6-(trifluoromethyl)-1H-indole serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its bromo group enables palladium-catalyzed cross-coupling reactions, while the trifluoromethyl moiety enhances metabolic stability and lipophilicity. The molecule exhibits excellent bench stability and facilitates efficient functionalization in standard coupling protocols, making it well-suited for constructing complex indole-based scaffolds 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 : 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   15.79
  • LogP   3.9492
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   0

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