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| IUPAC Name: | 5-bromo-1H-1,2,4-triazole |
| Description: | 5-Bromo-1,2,4-triazole (CAS# 7343-33-1) 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]). |
| Molecular Weight: | 147.96 |
| Molecular Formula: | C2H2BrN3 |
| Canonical SMILES: | C1=NNC(=N1)Br |
| InChI: | InChI=1S/C2H2BrN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6) |
| InChI Key: | HHIZISRHAQPAMY-UHFFFAOYSA-N |
| Boiling Point: | 295.4 °C at 760 mmHg |
| Density: | 2.102 g/cm3 |
| MDL: | MFCD01421960 |
| LogP: | 0.56720 |
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