Grundinformationen
- CAS
2896-70-0- Standard-SMILES
CC1(C)CC(=O)CC(C)(C)N1[O]- InChIKey
WSGDRFHJFJRSFY-UHFFFAOYSA-N- Summenformel
- C9H16NO2
- Durchschnittliche Molmasse
- 170,23 g/mol
- Monoisotopische Masse
- 170,11810375
Überblick
4-oxo-TEMPO is a member of the class of aminoxyls that is TEMPO carrying an oxo group at position 4. It has a role as a radical scavenger. It is a member of aminoxyls and a member of piperidones. It is functionally related to a TEMPO.
Namen und Bezeichner
- Bevorzugter Name
- Tempone
- IUPAC
- (2,2,6,6-Tetramethyl-4-oxopiperidin-1-yl)oxidanyl
- Lokaler Name
- 2,2,6,6-Tetramethyl-4-oxopiperidinooxy
- Englischer Name
- 4-Oxo-TEMPO
- Summenformel
- C9H16NO2*
- Molmasse
- 170.23
Namen und Synonyme
TemponeDTXSID40449054-Oxo-Tempo free radicalTRIACETONEAMINE-N-OXYLC9H16NO21-Piperidinyloxy, 2,2,6,6-tetramethyl-4-oxo-7W1863PEH5(2,2,6,6-Tetramethyl-4-oxopiperidin-1-yl)oxidanylPiperidinooxy, 2,2,6,6-tetramethyl-4-oxo-2,2,6,6-Tetramethyl-4-piperidone 1-nitroxideUNII-7W1863PEH5CHEMBL606972
Weitere Namen anzeigen
4-OXO-TEMPOZJ-7024-OXO-2,2,6,6-TETRAMETHYLPIPERIDINOOXYTANOTanonevitamin 7024-Oxo-2,2,6,6Tanone radical4-Oxo Tempo (702)
DTXCID20249054-Oxo-2,2,6,6-tetramethylpiperidine 1-oxyl, free radicalCHEBI:180665EINECS 220-778-7Tox21_301269SBB008633AKOS007930674BRN 1818579
Datenbank-Bezeichner
- CAS
2896-70-0- PubChem CID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 21,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 189
Physikochemische Eigenschaften
- Schmelzpunkt
- 33 · 33-38 °C
- Siedepunkt
- 299.88 °C · 299.88°C (rough estimate)
- Dichte
- 1.071 · 1.0710 (rough estimate)
- Dampfdruck
- 2.254 Pa · 2.254Pa at 25℃
- Brechungsindex
- 1.464 · 1.4640 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
- Aggregatzustand
- Needles, Crystals or Crystalline Powder
- Farbe
- Orange
- Wasserlöslichkeit
- 100 % · Soluble in water (partly), acetone, DMSO, 100% ethanol, and diethylether. Insoluble in water.
- BRN
- 1818579 · 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
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 19.6% (38 of 194) of reports.
Danger
H242 (54.6%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 194 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Piperidinyloxy, 2,2,6,6-tetramethyl-4-oxo-
Status: Active Update: 30-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11702
Hazard Classes and CategoriesSelf-react. F (54.6%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29333990
- RTECS-Nr.
- TN9200000
- risk_code
- 36/37/38
- safety_code
- 24/25
- hazard_class
- 9
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Acute 1
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1-Piperidinyloxy, 2,2,6,6-tetramethyl-4-oxo-: ACTIVE
Anwendungen
Beschreibung2,2,6,6-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.
VerwendenA spin label for ESR studies
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