3-Methyl-4-nitro-5-oxo-4,5-dihydro-1H-pyrazole-1-carboxylic acid
[CAS# 861383-08-6]

Identification

• Name: 3-Methyl-4-nitro-5-oxo-4,5-dihydro-1H-pyrazole-1-carboxylic acid
• Synonyms: 1H-Pyrazole-1-carboxylic acid, 4,5-dihydro-3-methyl-4-nitro-5-oxo-; 1H-PYRAZOLE-1-CARBOXYLICACID, 4,5-DIHYDRO-3-METHYL-4-NITRO-5-OXO-; 3-Methyl-4-nitro-5-oxo-4,5-dihydro-1H-pyrazol-1-carbonsäure
• Molecular Formula: C₅H₅N₃O₅
• Molecular Weight: 187.11
• CAS Registry Number: 861383-08-6
• SMILES: CC1=NN(C(=O)C1[N+](=O)[O-])C(=O)O
• InChI: 1S/C5H5N3O5/c1-2-3(8(12)13)4(9)7(6-2)5(10)11/h3H,1H3,(H,10,11)
• InChIKey: DASNMWIPNNIHRN-UHFFFAOYSA-N

Properties

• Density: 1.9±0.1g/cm³ (Cal.)
• Boiling point: 403.4±48.0°C at 760 mmHg (Cal.)
• Flash point: 197.7±29.6°C (Cal.)
• Refractive index: 1.72 (Cal.)