3-Chloro-2-nitroaniline 分子结构式
HCID101068

3-Chloro-2-nitroaniline

C6H5ClN2O2172.57 g/molCAS 59483-54-4

IDENTITY

结构与身份

标准SMILES
Nc1cccc(Cl)c1[N+](=O)[O-]
InChIKey
YADOEPHJIBKBCN-UHFFFAOYSA-N
分子式
C6H5ClN2O2
平均分子量
172.57 g/mol
单同位素质量
172.0039551

COMPUTED

结构计算性质

已同步
XLogP
2.2
极性表面积
71.8 Ų
氢键供体
1
氢键受体
3
可旋转键
0
重原子
11
形式电荷
0
复杂度
159

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): 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 2 reports by companies from 2 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 (50%);Acute Tox. 3 (50%)

ALIASES

名称与别名

共 28 条
3-Chloro-2-nitroaniline59483-54-4EINECS 261-782-9DTXSID80208183RefChem:499815DTXCID00130674261-782-9MFCD013178033-chloro-2-nitro-aniline3-chloro-2-nitro-phenylamine3-chloro-2-nitrophenylaminesalzsaure Nitroanilin3-Chloro 2-nitroaniline3-Chloro-2-nitro anilineSCHEMBL203912SCHEMBL8002511SBB008617AKOS005259837AC-3731CS-W004730

REACTIONS

参与反应

47
HRID 172034 反应方程式

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

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HRID 216835 反应方程式

uspto-grants-2012_06 · 10.6084/m9.figshare.5104873.v1 · US08193199B2

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HRID 240353 反应方程式

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08648075B2

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HRID 298017 反应方程式

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

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HRID 305817 反应方程式

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

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HRID 306683 反应方程式

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

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HRID 317413 反应方程式

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

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HRID 334499 反应方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08883822B2

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