Picrolonic acid

Base Information

• Chemical Name: Picrolonic acid
• CAS No.: 550-74-3
• Deprecated CAS: 46972-75-2
• Molecular Formula: C10H8N4O5
• Molecular Weight: 264.197
• Hs Code.: 29339900
• European Community (EC) Number: 208-986-6
• NSC Number: 5049
• DSSTox Substance ID: DTXSID50862175
• Nikkaji Number: J1.611J
• Wikidata: Q27274147
• ChEMBL ID: CHEMBL1354731
• Mol file: 550-74-3.mol

Synonyms:3-methyl-4-nitro-1-(4-nitrophenyl)-5-pyrazolone;picrolonic acid

Chemical Property of Picrolonic acid

Chemical Property:

• Appearance/Colour: beige to ochre-yellow powder
• Vapor Pressure: 4.26E-12mmHg at 25°C
• Melting Point: 119 °C
• Refractive Index: 1.714
• Boiling Point: 548.8 °C at 760 mmHg
• PKA: 2.44±0.40(Predicted)
• Flash Point: 285.7 °C
• PSA: 124.31000
• Density: 1.65 g/cm³
• LogP: 1.50960
• Storage Temp.: Refrigerator (+4°C)
• Solubility.: 0.27 % in water at room temperature, readily soluble in alcohol.
• Water Solubility.: Slightly soluble in water. Soluble in alcohol.
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 264.04946937
• Heavy Atom Count: 19
• Complexity: 444

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methyl-4-nitro-1-(4-nitrophenyl)-1H-pyrazol-5(4H)-one 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 68-36/37/38-22-36/38-7
• Safety Statements: 37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Pyrazoles
• Canonical SMILES: CC1=NN(C(=O)C1[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]
• Uses: As reagent for alkaloids, tryptophan, phenylalanine, and for the detection and estimation of calcium. With calcium(II), lead(II) and thorium(IV) the reagent gives complexes which are practically insoluble in water. The high molecular weight crystalline complexes can be used to advantage for the accurate determination of minute amounts of various metals. The reagent has also proved suitable for the spectrophotometric determination of calcium. Calcium picrolonate is transformed by bromine water in alkaline medium to a red, water-soluble complex. The absorption of this compound is constant for about two days and it also follows the Beer-Lambert Law. Reagent for the isolation of amines as crystalline π-complexes.Picrolonic acid is an analytical reagent used for the estimation of calcium, magnesium, lead, strontium and thorium. It is also used for the analysis of alkaloids, tryptophan and phenylalanine.