HCID7442

2-Methyl-4-nitrophenol

C7H7NO3153.14 g/molCAS 99-53-6

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: Cc1cc([N+](=O)[O-])ccc1O
InChIKey: KDQPMQNHVQVVMR-UHFFFAOYSA-N
分子式: C7H7NO3
平均分子量: 153.14 g/mol
单同位素质量: 153.04259309

COMPUTED

结构计算性质

已同步

XLogP: 1.2
极性表面积: 66.1 Å²
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: 154

PROPERTIES

实验与物化性质

来源：PubChem

Kovats Retention Index

1588；1571

1644；1665

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. 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. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

ALIASES

名称与别名

共 53 条

2-METHYL-4-NITROPHENOL99-53-64-Nitro-o-cresolPhenol, 2-methyl-4-nitro-2-Hydroxy-5-nitrotoluenep-Nitro-o-cresolo-Cresol, 4-nitro-4-Nitro-2-methylphenolNSC 1022EINECS 202-763-7UNII-105DL35HIBBRN 1365535105DL35HIB1-hydroxy-2-methyl-4-nitrobenzeneNSC-1022DTXSID40738894-06-00-02011 (Beilstein Handbook Reference)RefChem:88138DTXCID0049107Phenol, 2-methyl-4-nitro-(9CI)

REACTIONS

参与反应

50 条

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05624922

查看

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08829040B2

查看

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

查看

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

查看

uspto-grants-2009_05 · 10.6084/m9.figshare.5104873.v1 · US07531532B2

查看

uspto-grants-2015_08 · 10.6084/m9.figshare.5104873.v1 · US09096586B2

查看

uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07935708B2

查看

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08067420B2

查看