CAS 1185320-36-8

5-Bromo-3-(trifluoromethyl)-1H-1,2,4-triazole

Description:

5-Bromo-3-(trifluoromethyl)-1H-1,2,4-triazole is a heterocyclic compound characterized by the presence of a triazole ring, which consists of three nitrogen atoms and two carbon atoms in its five-membered structure. The bromine and trifluoromethyl groups are substituents that significantly influence its chemical properties and reactivity. This compound is typically a solid at room temperature and exhibits moderate solubility in organic solvents. Its unique structure makes it of interest in various fields, including pharmaceuticals and agrochemicals, where it may serve as a building block for the synthesis of biologically active molecules. The presence of the trifluoromethyl group often enhances lipophilicity and metabolic stability, while the bromine atom can participate in halogen bonding interactions. Additionally, 5-Bromo-3-(trifluoromethyl)-1H-1,2,4-triazole may exhibit antifungal or herbicidal properties, making it a candidate for further research in crop protection and medicinal chemistry. Safety and handling precautions should be observed due to potential toxicity associated with halogenated compounds.

Formula: C₃HBrF₃N₃

InChI: InChI=1S/C3HBrF3N3/c4-2-8-1(9-10-2)3(5,6)7/h(H,8,9,10)

InChI key: InChIKey=ZHLNRDIDHQSRLT-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1NC(Br)=NN1

Synonyms:

• 1H-1,2,4-Triazole, 5-bromo-3-(trifluoromethyl)-
• 3-Bromo-5-(trifluoromethyl)-1H-1,2,4-triazole
• 3-Bromo-5-trifluoromethyl-1H-[1,2,4]triazole
• 5-Bromo-3-(trifluoromethyl)-1H-1,2,4-triazole

3-Bromo-5-(trifluoromethyl)-1H-1,2,4-triazole

CAS: 1185320-36-8

3-Bromo-5-(trifluoromethyl)-1H-1,2,4-triazole

Purity: 98%

Molecular weight: 215.96g/mol

Ref: 54-PC1007983

3-bromo-5-(trifluoromethyl)-1H-1,2,4-triazole

CAS: 1185320-36-8

Formula: C₃HBrF₃N₃

Purity: 98%

Color and Shape: Solid, Light beige powder

Molecular weight: 215.961

Ref: 10-F312279