4-Acetylpyridine-N-oxide

HCID 337542

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 2402-96-2
標準SMILES: CC(=O)c1cc[n+]([O-])cc1
InChIKey: GUHDDRZAZNIQJB-UHFFFAOYSA-N
分子式: C7H7NO2
平均分子量: 137.14 g/mol
単同位体質量: 137.04767847

名称と識別子

優先名称: 4-Acetylpyridine-N-oxide
IUPAC: 1-(1-oxidopyridin-1-ium-4-yl)ethanone
英語名: 4-Acetylpyridine N-oxide
分子式: C7H7NO2
分子量: 137.14

名称と別名

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-

名称をさらに表示

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

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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.5
極性表面積: 42.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 128

物理化学的性質

融点: 132 °C · 132 °C(Solv: chloroform (67-66-3))
沸点: 347.3 · 347.3±15.0 °C(Predicted)
比重(密度): 1.13 · 1.13±0.1 g/cm3(Predicted)
酸解離定数(Pka): -0.72 · -0.72±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 3 件

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.