1-(2-Methyl-2H-Tetrazol-5-Yl)Acetone
[CAS# 350802-26-5]

Identification

• Name: 1-(2-Methyl-2H-Tetrazol-5-Yl)Acetone
• Synonyms: 2-(dihydroxymethyl)-2,5-dihydrofuran-2,5-diol; InChI=1/C5H8N4O/c1-4(10)3-5-6-8-9(2)7-5/h3H2,1-2H3
• Molecular Formula: C₅H₈N₄O
• Molecular Weight: 140.14
• CAS Registry Number: 350802-26-5
• SMILES: CC(=O)CC1=NN(N=N1)C
• InChI: 1S/C5H8N4O/c1-4(10)3-5-6-8-9(2)7-5/h3H2,1-2H3
• InChIKey: NZPUQVPWOGVWLI-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 284.3±42.0°C at 760 mmHg (Cal.)
• Flash point: 125.7±27.9°C (Cal.)
• Refractive index: 1.616 (Cal.)

References

• (1): Dietrich Moderhack, Dirk Decker and Bernhard Holtmann. Aromatic azapentalenes: 1H- and (mesoionic) 2H-pyrrolotetrazoles. Part 1. Synthesis and spectral characteristics, J. Chem. Soc., Perkin Trans. 1, 2001, 0, 720.