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Merck
CN

45965

1,2-Dinitrobenzene

analytical standard

Synonym(s):

1,2-DNB

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About This Item

Linear Formula:
C6H4(NO2)2
CAS Number:
528-29-0
Molecular Weight:
168.11
EC Number:
208-431-8
UNSPSC Code:
41116107
PubChem Substance ID:
329757025
Beilstein/REAXYS Number:
642224
MDL number:
MFCD00007093

Key Documents

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InChI key

IZUKQUVSCNEFMJ-UHFFFAOYSA-N

InChI

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

SMILES string

[O-][N+](=O)c1ccccc1[N+]([O-])=O

grade

analytical standard

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

319 °C/773 mmHg (lit.)

Quality Level

100

application(s)

environmental

format

neat

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General description

1,2-Dinitrobenzene belongs to the class of nitroaromatic compounds, which are utilized for the manufacture of pesticides, explosives, polymers, etc. They can pose a potential risk to the environment because of their toxic nature.

Application

1,2-Dinitrobenzene has been used as an analytical standard for the determination of the analyte in organic explosives investigated during the forensic analysis by liquid chromatography-atmospheric pressure chemical ionization mass spectrometry (LC-APCI-MS). It may be used as an analytical standard for the determination of the analyte in aqueous samples, environmental samples and human biological samples by various chromatographic techniques.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

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Danger

Hazard Classifications

Acute Tox. 1 Dermal - Acute Tox. 2 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

dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

Regulatory Information

非剧毒-急性毒性1
危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCBZ9089

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Application of DLLME based on the solidification of floating organic droplets for the determination of dinitrobenzenes in aqueous samples
Wu Y, et al.
Chromatographia, 72(7-8), 695-699 (2010)
M E Walsh
Talanta, 54(3), 427-438 (2008-10-31)
Hazardous waste site characterization, forensic investigations, and land mine detection are scenarios where soils may be collected and analyzed for traces of nitroaromatic, nitramine, and nitrate ester explosives. These thermally labile analytes are traditionally determined by high-performance liquid chromatography (HPLC);
S Jönsson et al.
Journal of chromatography. A, 1164(1-2), 65-73 (2007-08-04)
A solid-phase microextraction (SPME) method using gas chromatography-electron-capture negative ionisation mass spectrometry (GC-ECNI-MS) and isotope dilution quantification for the analysis of nitroaromatic compounds in complex, water based samples has been optimised. For ionisation, ECNI was the most sensitive and selective
P A Cossum et al.
Drug metabolism and disposition: the biological fate of chemicals, 13(6), 664-668 (1985-11-01)
The metabolism of radiolabeled dinitrobenzene (DNB) isomers was compared in hepatocytes and hepatic subcellular fractions isolated from male Fischer-344 rats. Under aerobic conditions, reduction was the major metabolic pathway for m- and p- DNB in hepatocytes with m- and p-nitroaniline
H Tamaki et al.
Journal of bacteriology, 181(9), 2958-2962 (1999-04-28)
Glutathione S-transferases (GSTs) Y-1 and Y-2 from the yeast Issatchenkia orientalis were purified by passage through a glutathione-agarose column, and the cDNA for GST Y-1 was cloned and sequenced. The deduced amino acid sequence consisted of 188 residues with a
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