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45966

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
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329757026
EC Number:
202-776-8
Beilstein/REAXYS Number:
1105654
MDL number:
MFCD00007222
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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

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.

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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

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

危险化学品
非剧毒-急性毒性1

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Certificates of Analysis (COA)

Lot/Batch Number
BCCM9995
BCCF1294
BCBW5071

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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
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);
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