4-Chloro-3-nitropyridine 分子结构式
HCID2735781

4-Chloro-3-nitropyridine

C5H3ClN2O2158.54 g/molCAS 13091-23-1

IDENTITY

结构与身份

标准SMILES
O=[N+]([O-])c1cnccc1Cl
InChIKey
JOTRPRKONYTVBV-UHFFFAOYSA-N
分子式
C5H3ClN2O2
平均分子量
158.54 g/mol
单同位素质量
157.988305

COMPUTED

结构计算性质

已同步
XLogP
1.3
极性表面积
58.7 Ų
氢键供体
0
氢键受体
3
可旋转键
0
重原子
10
形式电荷
0
复杂度
136

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral];H318 (89.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (10.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (10.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 3 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 (89.4%);Eye Dam. 1 (89.4%)

ALIASES

名称与别名

共 35 条
4-Chloro-3-nitropyridine13091-23-1Pyridine, 4-chloro-3-nitro-DTXSID90370941RefChem:98452DTXCID10321975603-447-5JOTRPRKONYTVBV-UHFFFAOYSA-N3-nitro-4-chloropyridine4-Chloro-3-nitro-pyridineMFCD026830253-nitro-4-chloro-pyridine4-chloro-3-nitro pyridine4Chloro-3-nitropyridineVX2ZU89YBD3-Nitro-4-Chloro pyridineSCHEMBL56332SCHEMBL1499409SCHEMBL17113878SCHEMBL30258234

REACTIONS

参与反应

300
HRID 6355 反应方程式

uspto-grants-1993_09 · 10.6084/m9.figshare.5104873.v1 · US05248681

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HRID 22494 反应方程式

uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05428168

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HRID 34269 反应方程式

uspto-grants-1988_08 · 10.6084/m9.figshare.5104873.v1 · US04761414

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HRID 43992 反应方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08536338B2

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HRID 69827 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822497B2

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HRID 69828 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822497B2

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HRID 69829 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822497B2

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HRID 69830 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822497B2

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