2,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one
[CAS# 81649-68-5]

Identification

• Name: 2,5-Dimethyl-4-nitro-1,2-dihydro-3H-pyrazol-3-one
• Synonyms: 2,5-dimethyl-4-nitro-1H-pyrazol-3(2H)-one; ZINC01512264
• Molecular Formula: C₅H₇N₃O₃
• Molecular Weight: 157.13
• CAS Registry Number: 81649-68-5
• SMILES: O=[N+]([O-])/C1=C(/NN(C1=O)C)C
• InChI: 1S/C5H7N3O3/c1-3-4(8(10)11)5(9)7(2)6-3/h6H,1-2H3
• InChIKey: MEHYBLUWMWRWJT-UHFFFAOYSA-N

Properties

• Density: 1.43g/cm³ (Cal.)
• Boiling point: 216.346°C at 760 mmHg (Cal.)
• Flash point: 84.643°C (Cal.)