1-(5-Amino-3-Methyl-1H-Pyrazol-4-Yl)Ethanone
[CAS# 139111-42-5]

Identification

• Name: 1-(5-Amino-3-Methyl-1H-Pyrazol-4-Yl)Ethanone
• Synonyms: 1-(5-amino-3-methyl-1H-pyrazol-4-yl)ethanone; 3-amino-4-acetyl-5-methylpyrazole; ethanone, 1-(5-amino-3-methyl-1H-pyrazol-4-yl)
• Molecular Formula: C₆H₉N₃O
• Molecular Weight: 139.16
• CAS Registry Number: 139111-42-5
• SMILES: CC1=NNC(=C1C(=O)C)N
• InChI: 1S/C6H9N3O/c1-3-5(4(2)10)6(7)9-8-3/h1-2H3,(H3,7,8,9)
• InChIKey: XYPSOOKVMCUCIY-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 356.9±37.0°C at 760 mmHg (Cal.)
• Flash point: 169.7±26.5°C (Cal.)
• Refractive index: 1.597 (Cal.)

Safety Data

• Safety Description: IRRITANT

References

• (1): Attila Kovács, Dénes Nemcsok, György Pokol, Katalin Mészáros Szécsényi, Vukadin M. Leovac, Željko K. Jacimovic, Ivana Radosavljevic Evans, Judith A. K. Howard, Zoran D. Tomic and Gerald Gi ester. Structural, spectroscopic and computational studies of the HgLCl complex (L = 3,5-dimethyl-1-thiocarboxamide pyrazole) and the crystal structure of L, New J. Chem., 2005, 29, 833.