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45966

Supelco

1,3-Dinitrobenzene

analytical standard

Sinónimos:

1,3-DNB

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About This Item

Fórmula lineal:
C6H4(NO2)2
Número de CAS:
99-65-0
Peso molecular:
168.11
Beilstein/REAXYS Number:
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.

signalword

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_germany

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

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Certificados de análisis (COA)

Lot/Batch Number
BCCF1294
BCBW5071
SZB8032XV
SZE8032X
8032X

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Sigma-Aldrich

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Supelco

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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
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);
K Sharma et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 79(5), 1063-1070 (2011-06-07)
1,3-Dinitrobenzene formed colored 1:1 complexes with aliphatic amines (chromogenic agents) like isopropylamine,ethylenediamine, tetraethylenepentamine and bis(3-aminopropyl)amine in DMSO having absorption maxima at 563 nm, 584 nm, 580.5 nm and 555 nm respectively. The complexes were stable for more than 24 h.
Ishaat M Khan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 73(5), 966-971 (2009-06-12)
The complexation of electron donor-acceptor complexes of 8-hydroxyquinoline (8HQ) and metadinitrobenzene (MNB) have been studied spectrophotometrically and thermodynamically in different polar solvent at room temperature. A new absorption band due to charge transfer (CT) transition is observed in the visible
Yongyan Mou et al.
Journal of forensic sciences, 54(4), 846-850 (2009-05-22)
The application of attenuated total reflection (ATR)-Fourier transform infrared (FTIR) spectromicroscopy for detection of explosive particles in fingerprints is described. The combined functions of ATR-FTIR spectromicroscopy are visual searching of particles in fingerprints and measuring the FTIR spectra of the
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Protocolos

US EPA Method 8270 (Appendix IX): GC Analysis of Semivolatiles on Equity®-5 (30 m x 0.25 mm I.D., 0.50 μm)

US EPA Method 8270 (Appendix IX): GC Analysis of Semivolatiles on Equity®-5 (30 m x 0.25 mm I.D., 0.50 μm)

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