CAS 2402-96-2 4-Acetylpyridine-N-oxide (HCID 337542)

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Basic information

CAS: 2402-96-2
Standard SMILES: CC(=O)c1cc[n+]([O-])cc1
InChIKey: GUHDDRZAZNIQJB-UHFFFAOYSA-N
Molecular formula: C7H7NO2
Average molar mass: 137.14 g/mol
Monoisotopic mass: 137.04767847

Names & identifiers

Preferred name: 4-Acetylpyridine-N-oxide
IUPAC: 1-(1-oxidopyridin-1-ium-4-yl)ethanone
English name: 4-Acetylpyridine N-oxide
Molecular formula: C7H7NO2
Molecular weight: 137.14

Names & synonyms

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-

Show more names

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

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 42.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 128

Physicochemical properties

Melting point: 132 °C · 132 °C(Solv: chloroform (67-66-3))
Boiling point: 347.3 · 347.3±15.0 °C(Predicted)
Density: 1.13 · 1.13±0.1 g/cm3(Predicted)
pka: -0.72 · -0.72±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 3 items

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.