ChemicalBook--->CAS DataBase List--->2896-70-0

2896-70-0

2896-70-0 Structure

2896-70-0 Structure
IdentificationMore
[Name]

4-Oxo-2,2,6,6-tetramethylpiperidinooxy
[CAS]

2896-70-0
[Synonyms]

1-OXYL-2,2,6,6-TETRAMETHYL-4-PIPERIDONE
2,2,6,6-TETRAMETHYL-4-OXO-1-PIPERIDINYLOXY
2,2,6,6-TETRAMETHYL-4-OXOPIPERIDINOOXY
2,2,6,6-TETRAMETHYL-4-PIPERIDONE 1-OXYL
4-OXO-2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY
4-OXO-2,2,6,6-TETRAMETHYL-4-PIPERIDINYLOXY
4-OXO-2,2,6,6-TETRAMETHYLPIPERIDINE 1-OXYL
4-OXO-2,2,6,6-TETRAMETHYLPIPERIDINOOXY
4-OXO-2,2,6,6-TETRAMETHYLPIPERIDINOOXY, FREE RADICAL
4-OXO-TEMPO
4-OXO-TEMPO, FREE RADICAL
TEMPONE
TIMTEC-BB SBB008633
1-Piperidinyloxy radical, 2,2,6,6-tetramethyl-4-oxo-
2,2,6,6-tetramethyl-4-oxo-1-piperidinylox
2,2,6,6-tetramethyl-4-oxo-piperidin-1-oxyl
2,2,6,6-tetramethyl-4-oxo-piperidinoox
2,2,6,6-Tetramethyl-4-oxo-piperidinoxy
2,2,6,6-Tetramethyl-4-piperidone 1-nitroxide
2,2,6,6-Tetramethylpiperidone-1-oxyl
[EINECS(EC#)]

220-778-7
[Molecular Formula]

C9H16NO2 *
[MDL Number]

MFCD00006187
[Molecular Weight]

170.23
[MOL File]

2896-70-0.mol
Chemical PropertiesBack Directory
[Appearance]

Pink Needles
[Melting point ]

33-38 °C
[Boiling point ]

299.88°C (rough estimate)
[density ]

1.0710 (rough estimate)
[vapor pressure ]

2.254Pa at 25℃
[refractive index ]

1.4640 (estimate)
[storage temp. ]

0-6°C
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
[form ]

Needles, Crystals or Crystalline Powder
[color ]

Orange
[Water Solubility ]

Soluble in water (partly), acetone, DMSO, 100% ethanol, and diethylether. Insoluble in water.
[Usage]

A spin label for ESR studies
[BRN ]

1818579
[InChI]

1S/C9H16NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h5-6H2,1-4H3
[InChIKey]

WSGDRFHJFJRSFY-UHFFFAOYSA-N
[SMILES]

CC1(C)CC(=O)CC(C)(C)N1[O]
[LogP]

0.28 at 22℃
[CAS DataBase Reference]

2896-70-0(CAS DataBase Reference)
[NIST Chemistry Reference]

1-Piperidinyloxy, 2,2,6,6-tetramethyl-4-oxo-(2896-70-0)
[EPA Substance Registry System]

2896-70-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Environment (GHS09)
GHS09
[Signal word ]

Warning
[Hazard statements ]

H400
[Precautionary statements ]

P273
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[RTECS ]

TN9200000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

9
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Oxo-TEMPO(2896-70-0).msds
Hazard InformationBack Directory
[Description]

2,2,6,6-Tetramethylpiperidin-1-oxyl (TEMPO) is a stable radical that will react with reactive oxygen species (ROS). This conversion, followed by ESR, provides an indirect way to monitor ROS production in biological systems. TEMPONE is the 4-oxo derivative of TEMPO. In addition to possible uses as a spin trap, this nitroxyl radical can be used in hydrogen transfer experiments and as a polarizing agent in dynamic nuclear polarization NMR spectroscopy. TEMPONE and other nitroxyl radicals have also been shown to reduce mean arterial pressure in spontaneously hypertensive rats when administered intravenously.
[Chemical Properties]

Pink Needles
[Uses]

A spin label for ESR studies
[General Description]

4-Oxo-TEMPO is formed by the reaction of 2,2,6,6-tetramethyl-4-piperidone (4-oxo-TMP) and 1O2. It is a stable paramagnetic product formed during the irradiation of TiO2 in aqueous suspensions.
[Flammability and Explosibility]

Nonflammable
[References]

[1] ADAM WU. Nitroxyl Radical Plus Hydroxylamine Pseudo Self-Exchange Reactions: Tunneling in Hydrogen Atom Transfer[J]. Journal of the American Chemical Society, 2009, 131 33: 11985-11997. DOI: 10.1021/ja904400d
[2] LUMATA L, MERRITT M, KHEMTONG C, et al. The efficiency of DPPH as a polarising agent for DNP-NMR spectroscopy?[J]. RSC Advances, 2012, 33: 12812-12817. DOI: 10.1039/c2ra21853d
[3] KINJAL PATEL. Acute antihypertensive action of nitroxides in the spontaneously hypertensive rat.[J]. American journal of physiology. Regulatory, integrative and comparative physiology, 2006, 290 1: R37-43. DOI: 10.1152/ajpregu.00469.2005
Spectrum DetailBack Directory
[Spectrum Detail]

4-Oxo-2,2,6,6-tetramethylpiperidinooxy(2896-70-0)IR1
4-Oxo-2,2,6,6-tetramethylpiperidinooxy(2896-70-0)Raman
4-Oxo-2,2,6,6-tetramethylpiperidinooxy(2896-70-0)ESR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Oxo-2,2,6,6-tetramethylpiperidinooxy, free radical, 95%(2896-70-0)
[Alfa Aesar]

4-Oxo-TEMPO, free radical, 96%(2896-70-0)
[Sigma Aldrich]

2896-70-0(sigmaaldrich)
[TCI AMERICA]

4-Oxo-2,2,6,6-tetramethylpiperidine 1-Oxyl  Free Radical,>95.0%(GC)(T)(2896-70-0)
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