Dataset for 3-Bromotetrazine

Dataset

Preparation of 3-Bromotetrazine

3-Bromo-1,2,4,5-tetrazine:

InChI=1S/C2HBrN4/c3-2-6-4-1-5-7-2/h1H

Canonical SMILES: C1=NN=C(N=N1)Br

EN300-27145343

CAS: 2396594-00-4

EC Number: 874-375-1

PubChem CID: 129875427

https://pubchem.ncbi.nlm.nih.gov/compound/129875427

This dataset is based on the original publication and data:

Simon D. Schnell, Lukas V. Hoff, Advaita Panchagnula, Maximilian H. H. Wurzenberger, Thomas M. Klapötke, Simon Sieber, Anthony Linden, Karl Gademann*

Chem. Sci., 2020, 11, 3042, DOI: 10.1039/c9sc06169j

This dataset can be of use for the publication:

Lukas Vincent Hoff, Simon Schnell, Elie Benchimol, FabioPereira Foutinho, Andrea Tomio, Michel Rickhaus, and Karl Gademann*
Department of Chemistry, University of Zurich, Winterthurer Strasse 190, 8057 Zurich, Switzerland

Helv. Chim. Acta 2023, e202200198, DOI: 10.1002/hlca.202200198