66893-81-0

Basic information

• Product Name: POBN
• Synonyms: α-(4-Pyridyl N-oxide)-N-tert-butylnitrone,N-(4-Pyridylmethylene)-tert-butylamine N,N′-dioxide, N-tert-Butyl-α-(4-pyridyl)nitrone N′-oxide, POBN;alpha-(4-Pyridyl 1-oxide)-N-tert-butyl-nitrone, 99% 100MG;N-tert-Butyl-α-(4-pyridyl)nitrone Nμ-oxide;N-tert-Butyl-alpha-(4-pyridyl)nitrone N'-Oxide POBN N-(4-Pyridylmethylene)-tert-butylamine N,N'-Dioxide alpha-(4-Pyridyl N-Oxide)-N-tert-butylnitrone;alpha-(4-Pyridyl N-oxide)-N-tert-butylnitrone ~95%;Dimethylaminoparthenolide/ Tert-Butyl-[(1-Oxido-4-Pyridylidene)Methyl]-Oxo-Ammonium;alpha-(4-Pyridyl N-oxide)-N-tert-butylnitrone 99%;-(4-pyridyl-1-oxide)nitrone
• CAS NO: 66893-81-0
• Molecular Formula: C₁₀H₁₄N₂O₂
• Molecular Weight: 194.23
• EINECS: 266-512-3
• Product Categories: Analytical Reagents;Analytical/Chromatography;Building Blocks;C10;Chemical Synthesis;Electron Spin Resonance (ESR/EPR) Spectroscopy;Heterocyclic Building Blocks;Pyridines;Spectroscopy;Analytical Chemistry;ESR Spectrometry;Spin Trapping Reagents
• Mol File: 66893-81-0.mol
• Article Data: 2

Chemical Properties

• Melting Point: 183-185 °C(lit.)
• Boiling Point: 330.68°C (rough estimate)
• Flash Point: 201.219ºC
• Appearance: White to off-white crystalline solid.
• Density: 1.1444 (rough estimate)
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.5000 (estimate)
• Storage Temp.: 2-8°C
• Solubility: water: soluble10mg/mL, clear, colorless to faintly yellow
• PKA: 0.76±0.53(Predicted)
• BRN: 1453764
• CAS DataBase Reference: POBN(CAS DataBase Reference)
• NIST Chemistry Reference: POBN(66893-81-0)
• EPA Substance Registry System: POBN(66893-81-0)

Safety Data

• Safety Statements: 22-24/25
• WGK Germany: 3
• Hazardous Substances Data: 66893-81-0(Hazardous Substances Data)

Usage

Chemical Properties

white to pale yellow crystalline powder

Uses

Different sources of media describe the Uses of 66893-81-0 differently. You can refer to the following data:
1. Spin trap reagent used to measure ethanol oxidation to 1-hydroxyethyl radical (HER) which can bind to protein. Has also been used in studies of DNA methylation, iron-mediated polyunsaturated fatty acid peroxidation, and free-radical formation by Alzheimer β-amyloid peptide. The formation of hydroxyl radical in chondrocytes and cartilage has been detected using POBN.
2. POBN is a cell permeable hydrophilic spin trap for in vitro studies. It is a water soluble analog of PBN with low paramagnetic impurities and does not require any further purification. POBN has also also been used in studies of DNA methylation, iron-mediated polyunsaturated fatty acid peroxidation, and free-radical formation by Alzheimer β-amyloid peptide.

InChI:InChI=1/C10H14N2O2/c1-10(2,3)12(14)8-9-4-6-11(13)7-5-9/h4-8H,1-3H3/b12-8-

Upstream product

• 7216-42-4 isonicotinaldehyde 1-oxide 
• 16649-50-6 N-tert-Butylhydroxylamine 
• 57497-39-9 N-tertbutylhydroxylamine hydrochloride 

Downstream Products

• 7216-42-4 isonicotinaldehyde 1-oxide 
• 16649-50-6 N-tert-Butylhydroxylamine 
• 1224720-35-7 C₂₄H₃₃N₂O₅ 

Relevant articles and documents

Spin Trapping of Hydroxyl Radical in the Troposphere for Determination by Electron Spin Resonance and Gas Chromatography/Mass Spectrometry

An airborne sampling system using a spin trapping method has been developed to determine the concentration of hydroxyl radical in the troposphere.Hydroxyl radical was trapped in a α-4-pyridyl-N-tert-butylnitrone α-1-oxide (4-POBN) in situ to form a stable hydroxy adduct of 4-POBN and determined by electron spin resonance (ESR) later in the laboratory.The concentration of hydroxyl radical ranged from less than 5E5 molecules/cm3 at an altitude of 10 km to a maximum of 5E6 molecules/cm3 at an altitude of 6 km at 37N 140E during the period of May 1980 to Feb 1981.The limit of detection of the present system was about 5E5 molecules/cm3 if 200 m3 of air was sampled.The uncertainty of the concentration was estimated to be less than 30percent.