3-BROMO-1H-1,2,4-TRIAZOLE Chemical Properties

Melting point:

186-188 °C

Boiling point:

295.4±23.0 °C(Predicted)

Density 

2.102±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2–8 °C

pka

7.84±0.20(Predicted)

Appearance

White to off-white Solid

InChI

InChI=1S/C2H2BrN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)

InChIKey

HHIZISRHAQPAMY-UHFFFAOYSA-N

SMILES

N1C(Br)=NC=N1

Safety Information

Hazard Codes 

Xi

HazardClass 

IRRITANT

HS Code 

2933998090

3-BROMO-1H-1,2,4-TRIAZOLE Usage And Synthesis

Uses

3-Bromo-1H-1,2,4-triazole is used as a ligand for transition metals to create coordination complexes. 3-Bromo-1H-1,2,4-triazole is also from a family of 1,2,4-triazoles that have the ability to accept and transfer acyl groups in synthetic reactions, making it a useful catalyst for the synthesis of esters (e.g.2,2-Dimethylacetoacetic Acid Ethyl Ester [D460776]).

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