4-Acetylpyridine-N-oxide 分子结构式
HCID337542

4-Acetylpyridine-N-oxide

1-(1-oxidopyridin-1-ium-4-yl)ethanone

C7H7NO2137.14 g/molCAS 2402-96-2

IDENTITY

结构与身份

标准SMILES
CC(=O)c1cc[n+]([O-])cc1
InChIKey
GUHDDRZAZNIQJB-UHFFFAOYSA-N
分子式
C7H7NO2
平均分子量
137.14 g/mol
单同位素质量
137.04767847

COMPUTED

结构计算性质

已同步
XLogP
-0.5
极性表面积
42.5 Ų
氢键供体
0
氢键受体
2
可旋转键
1
重原子
10
形式电荷
0
复杂度
128

GHS

GHS分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

4-Acetylpyridine-N-oxide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Not Classified

REGULATORY

法规信息

来源:PubChem
Regulatory Information

4-Acetylpyridine-N-oxide: Does not have an individual approval but may be used under an appropriate group standard

ALIASES

名称与别名

共 20 条
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-SCHEMBL1015846DTXSID10320185GUHDDRZAZNIQJB-UHFFFAOYSA-NMFCD00955960AKOS006273738NSC-356032F738551-(1-Oxo-1lambda~5~-pyridin-4-yl)ethan-1-one

REACTIONS

参与反应

11
HRID 2152 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728708

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HRID 2153 反应方程式

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05728708

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HRID 619363 反应方程式

uspto-grants-1999_09 · 10.6084/m9.figshare.5104873.v1 · US05958935

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HRID 821697 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 1085937 反应方程式

uspto-grants-1991_04 · 10.6084/m9.figshare.5104873.v1 · US05011932

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HRID 1085965 反应方程式

uspto-grants-1991_04 · 10.6084/m9.figshare.5104873.v1 · US05011932

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HRID 1085966 反应方程式

uspto-grants-1991_04 · 10.6084/m9.figshare.5104873.v1 · US05011932

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HRID 1116622 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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