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2-Bromo-5-(difluoromethyl)-1,3,4-thiadiazole

  • CAS No. 1340313-49-6

  • Cat. No. CS-0107099
  • Molecule weight215.02
  • Purity≥97%
  • MDL No.None

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

2-Bromo-5-(difluoromethyl)-1,3,4-thiadiazole|CS-0107099

Structure of 1340313-49-6

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General Information

  • CAS No. 1340313-49-6
  • Cat. No. CS-0107099
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃HBrF₂N₂S
  • Molecular Weight 215.02
  • Synonym(s) 2-Bromo-5-difluoromethyl-[1,3,4]thiadiazole
  • SMILES FC(C1=NN=C(Br)S1)F

Description

This difluoromethyl-substituted thiadiazole features a reactive bromine handle at the 2-position, enabling efficient coupling in cross-coupling transformations. The electron-deficient heterocyclic core enhances stability and facilitates functionalization in synthetic workflows involving palladium catalysis or nucleophilic substitution.

Application

2-Bromo-5-(difluoromethyl)-1,3,4-thiadiazole serves as a versatile building block for the synthesis of fluorinated heterocycles and bioactive molecules. The bromo group enables palladium-catalyzed cross-coupling reactions, while the difluoromethyl substituent imparts enhanced metabolic stability and modulates electronic properties. Its bench-stable nature and compatibility with diverse functional groups facilitate efficient incorporation into pharmaceutical scaffolds and agrochemical intermediates.

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-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   2.2382
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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