HCID85300

5-Methoxy-2-nitroaniline

C7H8N2O3168.15 g/molCAS 16133-49-6

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: COc1ccc([N+](=O)[O-])c(N)c1
InChIKey: QEHVRGACCVLLNN-UHFFFAOYSA-N
分子式: C7H8N2O3
平均分子量: 168.15 g/mol
单同位素质量: 168.05349212

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 81.1 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 169

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；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

Skin Sens. 1 (97.5%)

ALIASES

名称与别名

共 47 条

5-methoxy-2-nitroaniline16133-49-6BENZENAMINE, 5-METHOXY-2-NITRO-5-methoxy-2-nitrobenzenamine5Methoxy-2-nitroaniline2-Nitro-5-methoxyaniline5YZ47N4AR5EINECS 240-293-4DTXSID90167116RefChem:536662DTXCID9089607240-293-45-Methoxy-2-nitrophenylamineMFCD001795735-methoxy-2-nitro-aniline5-methoxy-2-nitro-phenylamine3-Amino-4-nitroanisoleEsomeprazole Impurity 44(5-Methoxy-2-nitrophenyl)amine; 2-Nitro-5-methoxyaniline; 3-Methoxy-6-nitroaniline; 5-Methoxy-2-nitroaniline; 5-Methoxy-2-nitrobenzenamineBENZENAMINE,5-METHOXY-2-NITRO-

REACTIONS

参与反应

25 条

uspto-grants-2004_03 · 10.6084/m9.figshare.5104873.v1 · US06713482B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看

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

查看

uspto-grants-2004_06 · 10.6084/m9.figshare.5104873.v1 · US06753347B2

查看

uspto-grants-1992_11 · 10.6084/m9.figshare.5104873.v1 · US05162318

查看

uspto-grants-2001_10 · 10.6084/m9.figshare.5104873.v1 · US06310079B1

查看

uspto-grants-2012_01 · 10.6084/m9.figshare.5104873.v1 · US08093240B2

查看