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Merck

102369

Sigma-Aldrich

1,4-Dinitrobenzol

98%

Synonym(e):

p-dinitrobenzene, para-Dinitrobenzene

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About This Item

Lineare Formel:
C6H4(NO2)2
CAS-Nummer:
Molekulargewicht:
168.11
Beilstein:
1105828
EG-Nummer:
MDL-Nummer:
UNSPSC-Code:
12352100
PubChem Substanz-ID:
NACRES:
NA.22

Qualitätsniveau

Assay

98%

bp

183.4 °C/34 mmHg (lit.)

mp (Schmelzpunkt)

170-173 °C (lit.)

Löslichkeit

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

Dichte

1.625 g/mL at 25 °C (lit.)

Funktionelle Gruppe

nitro

SMILES String

[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

InChIKey

FYFDQJRXFWGIBS-UHFFFAOYSA-N

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Allgemeine Beschreibung

Dinitrobenzene is commonly used in industrial explosives containing ammonium nitrate. 1,4-Dinitrobenzene forms negative molecular ion M-· by electron capture or charge exchange.

Anwendung

1,4-Dinitrobenzene was used in a study to evaluate the ionization mechanism and solvent effect by novel atmospheric pressure photoionization mass spectrometry in negative ion mode for analysis of some compounds. 1,4-Dinitrobenzene can be used in synthesis of dyes and dye intermediates.

Angaben zur Herstellung

One gram of 1,4-Dinitrobenzene dissolves in 12,500 ml cold water, 555 ml boiling water and 300 ml alcohol.

Signalwort

Danger

Gefahreneinstufungen

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

Lagerklassenschlüssel

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

WGK

WGK 3

Flammpunkt (°F)

302.0 °F - closed cup

Flammpunkt (°C)

150 °C - closed cup

Persönliche Schutzausrüstung

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)
M Elena Hernández-Flores et al.
Steroids, 149, 108420-108420 (2019-06-04)
β-Sitosteryl (S)-ibuprofenate (2), stigmasteryl (S)-ibuprofenate (3), ergosteryl (S)-ibuprofenate (4), and cholesteryl (S)-ibuprofenate (5) were prepared in 70-75% yields by Steglich esterification and were characterized by 1D and 2D NMR, as well as by MS. The new esters were evaluated in
A Hilmi et al.
Journal of chromatography. A, 844(1-2), 97-110 (1999-07-10)
Electrochemical reduction of trinitrotoluene (TNT) and several nitroaromatics has been exploited toward the development of an amperometric detector for liquid chromatography (LC). Up to a ten-fold increase in sensitivity was accomplished for the explosives using amperometric detection instead of conventional
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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