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45966

Supelco

1,3-Dinitrobenzene

analytical standard

Synonym(s):

1,3-DNB

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About This Item

Linear Formula:
C6H4(NO2)2
CAS Number:
99-65-0
Molecular Weight:
168.11
Beilstein:
1105654
EC Number:
202-776-8
MDL number:
MFCD00007222
UNSPSC Code:
41116107
PubChem Substance ID:
329757026
NACRES:
NA.24

grade

analytical standard

Quality Level

100

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

bp

297 °C (lit.)

mp

84-86 °C (lit.)

density

1.368 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

SMILES string

[O-][N+](=O)c1cccc(c1)[N+]([O-])=O

InChI

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

InChI key

WDCYWAQPCXBPJA-UHFFFAOYSA-N

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General description

1,3-Dinitrobenzene is grouped under the family of nitroaromatic compounds, which find application in the production of pesticides, explosives, polymers, etc. They can pose a potential risk to the ecosystem, owing to their toxic nature.

Application

1,3-Dinitrobenzene has been used as an analytical standard for the quantification 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.

Signal Word

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 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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCF1294
BCBW5071
SZB8032XV
SZE8032X
8032X

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D A Cassada et al.
Journal of chromatography. A, 844(1-2), 87-95 (1999-07-10)
Recent improvements in the LC-MS interface have increased the sensitivity and selectivity of this instrument in the analysis of polar and thermally-labile aqueous constituents. Determination of RDX, nitroso-RDX metabolites, and other munitions was enhanced using LC-MS with solid-phase extraction, 15N3-RDX
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
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);
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)
Romain Tachon et al.
Journal of chromatography. A, 1154(1-2), 174-181 (2007-04-25)
A new LC/MS method was developed for the analysis of sixteen different analytes including the most common organic explosives encountered in forensic investigations. The separation was achieved using a porous graphitic carbon (PGC) column with a binary gradient elution. Molecular
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