Dimethyl-1,2,4,5-Tetrazine
[CAS# 1558-23-2]

Identification

• Name: Dimethyl-1,2,4,5-Tetrazine
• Synonyms: 1,2,4,5-Tetrazine, 3,6-Dimethyl-; S-Tetrazine, 3,6-Dimethyl-
• Molecular Formula: C₄H₆N₄
• Molecular Weight: 110.12
• CAS Registry Number: 1558-23-2
• SMILES: CC1=NN=C(N=N1)C
• InChI: 1S/C4H6N4/c1-3-5-7-4(2)8-6-3/h1-2H3
• InChIKey: DGLYTMLIGRQDPE-UHFFFAOYSA-N

Properties

• Density: 1.161g/cm³ (Cal.)
• Boiling point: 262.121°C at 760 mmHg (Cal.)
• Flash point: 126°C (Cal.)

References

• (1): Il'ya A. Gural'skiy, Daniel Escudero, Antonio Frontera, Pavlo V. Solntsev, Eduard B. Rusanov, Alexander N. Chernega, Harald Krautscheid and Konstantin V. Domasevitch. 1,2,4,5-Tetrazine: an unprecedented μ-coordination that enhances ability for anion⋯π interactions, Dalton Trans., 2009, 2856.