4-Chlorobenzoic N2-(4-nitrophenyl)hydrazide 分子结构式
HCID3106534

4-Chlorobenzoic N2-(4-nitrophenyl)hydrazide

4-chloro-N'-(4-nitrophenyl)benzohydrazide

C13H10ClN3O3291.69 g/molCAS 5331-71-5

IDENTITY

结构与身份

标准SMILES
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1
InChIKey
VTUSZVXQUXFZGC-UHFFFAOYSA-N
分子式
C13H10ClN3O3
平均分子量
291.69 g/mol
单同位素质量
291.0410689

COMPUTED

结构计算性质

已同步
XLogP
3.5
极性表面积
87 Ų
氢键供体
2
氢键受体
4
可旋转键
3
重原子
20
形式电荷
0
复杂度
345

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 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

Eye Irrit. 2 (100%);Aquatic Acute 1 (100%)

ALIASES

名称与别名

共 19 条
4-CHLOROBENZOIC N2-(4-NITROPHENYL)HYDRAZIDE965-06-0RefChem:521953668-492-54-Chloro-N'-(4-nitrophenyl)benzohydrazide5331-71-5SCHEMBL11683163DTXSID803892894-Chlorbenzoyl-4-nitrophenylhydrazinSTK414260AKOS000511653ST505528584-Chloro-N'-(4-nitrophenyl)benzohydrazide #1-(4-Chlorobenzoyl)-2-(4-nitrophenyl)hydrazineAB00081077-01N-(4-Chlorobenzoyl)-N'-(4-nitrophenyl)hydrazineSR-01000467473SR-01000467473-1(4-chlorophenyl)-N-[(4-nitrophenyl)amino]carboxamide

REACTIONS

参与反应

5
HRID 285259 反应方程式

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

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HRID 437300 反应方程式

uspto-grants-1977_06 · 10.6084/m9.figshare.5104873.v1 · US04030925

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HRID 437301 反应方程式

uspto-grants-1977_06 · 10.6084/m9.figshare.5104873.v1 · US04030925

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HRID 437522 反应方程式

uspto-grants-1977_06 · 10.6084/m9.figshare.5104873.v1 · US04031127

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HRID 437523 反应方程式

uspto-grants-1977_06 · 10.6084/m9.figshare.5104873.v1 · US04031127

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