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102369

Sigma-Aldrich

对二硝基苯

98%

别名:

p-dinitrobenzene, para-Dinitrobenzene

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About This Item

线性分子式:
C6H4(NO2)2
CAS号:
100-25-4
分子量:
168.11
Beilstein:
1105828
EC號碼:
202-833-7
MDL號碼:
MFCD00007314
分類程式碼代碼:
12352100
PubChem物質ID:
24846575
NACRES:
NA.22

品質等級

100

化驗

98%

bp

183.4 °C/34 mmHg (lit.)

mp

170-173 °C (lit.)

溶解度

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

密度

1.625 g/mL at 25 °C (lit.)

SMILES 字串

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

InChI

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

InChI 密鑰

FYFDQJRXFWGIBS-UHFFFAOYSA-N

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相关类别

一般說明

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-·。

應用

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。

準備報告

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

訊號詞

Danger

危險分類

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

儲存類別代碼

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

水污染物質分類（WGK）

WGK 3

閃點（°F）

302.0 °F - closed cup

閃點（°C）

150 °C - closed cup

個人防護裝備

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

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Tiina J Kauppila et al.
Journal of the American Society for Mass Spectrometry, 15(2), 203-211 (2004-02-10)
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
Polymer sensors for nitroaromatic explosives detection.
Toal SJ and Trogler WC.
Journal of Materials Chemistry, 16(28), 2871-2883 (2006)
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
Silvia M Barolo et al.
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
Akio Kamimura et al.
Molecules (Basel, Switzerland), 17(5), 4782-4790 (2012-04-27)
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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