2-Chloro-4-nitropyridine 1-oxide 分子结构式
HCID84433

2-Chloro-4-nitropyridine 1-oxide

2-chloro-4-nitro-1-oxidopyridin-1-ium

C5H3ClN2O3174.54 g/molCAS 14432-16-7

IDENTITY

结构与身份

标准SMILES
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1
InChIKey
YSTCMHHKDOVZDA-UHFFFAOYSA-N
分子式
C5H3ClN2O3
平均分子量
174.54 g/mol
单同位素质量
173.9832197

COMPUTED

结构计算性质

已同步
XLogP
0.6
极性表面积
71.3 Ų
氢键供体
0
氢键受体
3
可旋转键
0
重原子
11
形式电荷
0
复杂度
160

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (91.1%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (91.1%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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
Hazard Classes and Categories

Acute Tox. 3 (91.1%);Acute Tox. 3 (91.1%);Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);Acute Tox. 3 (91.1%);STOT SE 3 (97.8%)

ALIASES

名称与别名

共 47 条
2-Chloro-4-nitropyridine 1-oxideDTXSID80162675EINECS 238-404-6RefChem:469088DTXCID5085166NSC 527701238-404-614432-16-72-Chloro-4-nitropyridine-N-oxide2-Chloro-4-nitropyridine N-oxide2-chloro-4-nitro-1-oxidopyridin-1-iumPyridine, 2-chloro-4-nitro-, 1-oxideMFCD009556172-CHLORO-4-NITROPYRIDIN-1-IUM-1-OLATENSC-5277012-chloro-4-nitropyridin-1-ol2-Chloro-4-nitropyridine1-oxideJE5ASN4WNESCHEMBL345760SCHEMBL31536932

REACTIONS

参与反应

32
HRID 98737 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID 155988 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 279832 反应方程式

uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04587240

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HRID 279834 反应方程式

uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04587240

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HRID 310468 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID 365107 反应方程式

uspto-grants-1986_08 · 10.6084/m9.figshare.5104873.v1 · US04608380

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HRID 483756 反应方程式

uspto-grants-1993_07 · 10.6084/m9.figshare.5104873.v1 · USRE034313

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HRID 483758 反应方程式

uspto-grants-1993_07 · 10.6084/m9.figshare.5104873.v1 · USRE034313

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