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Safety Information

102369

Sigma-Aldrich

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
Beilstein:
1105828
EC Number:
202-833-7
MDL number:
MFCD00007314
UNSPSC Code:
12352100
PubChem Substance ID:
24846575
NACRES:
NA.22

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

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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.

Signal Word

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 Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 5: Self-reactive substances
Nitro compounds
Hazardous rank I
1st self-reactive materials

ISHL Indicated Name

Substances Subject to be Indicated Names

ISHL Notified Names

Substances Subject to be Notified Names

JAN Code

102369-25G:
102369-5G:4548173927114
102369-BULK:
102369-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
STBF8844V
S58502V
S58502
07805DH
S40860

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Polymer sensors for nitroaromatic explosives detection.
Toal SJ and Trogler WC.
Journal of Materials Chemistry, 16(28), 2871-2883 (2006)
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
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Yanyan Zhao et al.
Se pu = Chinese journal of chromatography, 29(9), 885-889 (2012-01-12)
A set of 14 model compounds were selected to evaluate the retention properties of two silica-based cyclodextrin (CD) bonded stationary phases with different spacers (Click Alkyl-CD and Click OEG-CD) under reversed-phase liquid chromatographic (RPLC) mode. The gradient calculation method and
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
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