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Merck
CN

102369

对二硝基苯

98%

别名:

p-dinitrobenzene, para-Dinitrobenzene

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关于此项目

线性分子式:
C6H4(NO2)2
化学文摘社编号:
100-25-4
分子量:
168.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846575
EC Number:
202-833-7
Beilstein/REAXYS Number:
1105828
MDL number:
MFCD00007314
Assay:
98%

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mp

170-173 °C (lit.)

solubility

alcohol: soluble 1g in 300ml, boiling water: soluble 1g in 555ml, cold water: soluble 1g in 12,500ml, benzene: very slightly soluble, chloroform: very slightly soluble, ethyl acetate: very slightly soluble

density

1.625 g/mL at 25 °C (lit.)

functional group

nitro

InChI key

FYFDQJRXFWGIBS-UHFFFAOYSA-N

InChI

1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H

SMILES string

[O-][N+](=O)c1ccc(cc1)[N+]([O-])=O

assay

98%

bp

183.4 °C/34 mmHg (lit.)

Quality Level

100

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General description

二硝基苯通常用于含有硝酸铵的工业炸药中。 1,4-二硝基苯可通过电子捕获或电荷交换形成负分子离子M-·。

Application

在一项研究中，1,4-二硝基苯被用于通过新型大气压光电离质谱法，在负离子模式下对一些化合物进行分析过程中的电离机理和溶剂效应进行评估。 1,4-二硝基苯可用于合成染料和染料中间体。

Preparation Note

1克1,4-二硝基苯溶于12500 ml冷水、555 ml沸水和300 ml乙醇中。

signalword

Danger

Hazard Classifications

Acute Tox. 1 Dermal - Acute Tox. 1 Inhalation - Acute Tox. 2 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2

存储类别

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

302.0 °F - closed cup

flash_point_c

150 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

法规信息

危险化学品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SDBB3067
STBF8844V
S58502V
S58502
07805DH

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The ionization mechanism in the novel atmospheric pressure photoionization mass spectrometry (APPI-MS) in negative ion mode was studied thoroughly by the analysis of seven compounds in 17 solvent systems. The compounds possessed either gas-phase acidity or positive electron affinity, whereas
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The Journal of organic chemistry, 71(22), 8493-8499 (2006-10-27)
The photostimulated intramolecular ortho-arylation reactions of bromoarenes linked with pendant phenoxy containing N-substituted tetrahydroisoquinolines in liquid ammonia afforded aporphine (54-82% yield) alkaloid derivatives via SRN1 reactions. This strategy was extended for the first time to the synthesis of a homoaporphine
N Kessler et al.
Proteins, 34(3), 383-394 (1999-02-19)
The sequences of the variable regions of three monoclonal antibodies with different specificities to cholesterol monohydrate and 1,4-dinitrobenzene crystals were determined. The structures of their binding sites were then modeled, based on homology to other antibodies of known structure. Two
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S(RN)1-type coupling adducts are readily prepared by the reaction between a-sulfonylesters or a-cyanosulfones and gem-dinitro compounds in ionic liquids. The reactions progress smoothly and recovered ionic liquids can be used for several iterations, as long as they are washed with
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