4-Acetylpyridine-N-oxide

HCID 337542CAS 2402-96-2

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Grundinformationen

Standard-SMILES: CC(=O)c1cc[n+]([O-])cc1
InChIKey: GUHDDRZAZNIQJB-UHFFFAOYSA-N
Summenformel: C7H7NO2
Durchschnittliche Molmasse: 137,14 g/mol
Monoisotopische Masse: 137,04767847

Namen und Bezeichner

Bevorzugter Name: 4-Acetylpyridine-N-oxide
IUPAC: 1-(1-oxidopyridin-1-ium-4-yl)ethanone
Englischer Name: 4-Acetylpyridine N-oxide
Summenformel: C7H7NO2
Molmasse: 137.14

Namen und Synonyme

4-acetylpyridine-N-oxideRefChem:517353Ethanone, 1-(1-oxido-4-pyridinyl)-607-306-94-Acetylpyridine 1-oxide2402-96-24-Acetylpyridine n-oxide1-(1-oxidopyridin-1-ium-4-yl)ethanoneNSC3560324-acetylpyridin-1-oxid4-acetyl-pyridine N-oxidepyridine 1-oxide, 4-acetyl-

Weitere Namen anzeigen

Tripelennamine Impurity 3Ethanone, 1-(1-oxido-4-pyridinyl)- (9CI)

SCHEMBL1015846DTXSID10320185GUHDDRZAZNIQJB-UHFFFAOYSA-NMFCD00955960AKOS006273738NSC-356032F738551-(1-Oxo-1lambda~5~-pyridin-4-yl)ethan-1-one

Datenbank-Bezeichner

CAS: 2402-96-2
PubChem CID: 337542
DTXSID: DTXSID10320185
EC Number: 607-306-9
Nikkaji: J703.595K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 42,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 128

Physikochemische Eigenschaften

Schmelzpunkt: 132 °C · 132 °C(Solv: chloroform (67-66-3))
Siedepunkt: 347.3 · 347.3±15.0 °C(Predicted)
Dichte: 1.13 · 1.13±0.1 g/cm3(Predicted)
pka: -0.72 · -0.72±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (22 of 22) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 22 of 22 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 22 of 22 reports by companies.；There are 0 notifications provided by 0 of 22 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.