Skip to Content
Merck
CN

Key Documents

View All Documentation

102369

1,4-Dinitrobenzene

98%

Synonym(s):

p-dinitrobenzene, para-Dinitrobenzene

Sign In to View Organizational & Contract Pricing.

Select a Size

Change View

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%
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Quality Level

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.

Still not finding the right product?

Explore all of our products under 1,4-Dinitrobenzene

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

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

Regulatory Information

危险化学品

This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
SDBB3067
STBF8844V
S58502V
S58502
07805DH

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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
View All Related Papers

Global Trade Item Number

SKUGTIN
102369-5G04061838669575