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102369

1,4-Dinitrobenzene

98%

Synonym(s):

p-dinitrobenzene, para-Dinitrobenzene

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About This Item

Linear Formula:
C6H4(NO2)2
CAS Number:
100-25-4
Molecular Weight:
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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Quality Segment

100

assay

98%

bp

183.4 °C/34 mmHg (lit.)

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

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

InChI key

FYFDQJRXFWGIBS-UHFFFAOYSA-N

General description

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

Application

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.

Preparation Note

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

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Danger

Hazard Classifications

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

Storage Class

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

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