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Merck
CN

45930

3,4-Dinitrobenzoic acid

analytical standard

Synonym(s):

3,4-DNBA

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About This Item

Empirical Formula (Hill Notation):
C7H4N2O6
CAS Number:
528-45-0
Molecular Weight:
212.12
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329757017
EC Number:
208-433-9
Beilstein/REAXYS Number:
2055333
MDL number:
MFCD00007255

Key Documents

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Quality Level

100

grade

analytical standard

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

environmental

format

neat

SMILES string

OC(=O)c1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O

InChI

1S/C7H4N2O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)

InChI key

OMVRRHJJQILIJX-UHFFFAOYSA-N

General description

3,4-Dinitrobenzoic acid belongs to the class of highly polar nitroaromatic compounds, which are categorized under the group of explosives and related compounds (ERCs). ERCs are of research interest because they are identified as the potential intermediates of environmental degradation pathway of explosives that can adversely affect the ecosystem and human health.

Application

3,4-Dinitrobenzoic acid may be used as an analytical standard for the determination of the analyte in explosive contaminated waters 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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

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Determination of nitrophenols, nitrobenzoic acids and polar explosives by HPLC-diode array detection in ground water samples of former ammunition plants
Godejohann M, et al.
Chromatographia, 43(11-12), 612-618 (1996)
A Preiss et al.
Journal of chromatography. A, 1216(25), 4968-4975 (2009-05-19)
An advanced HPLC-photodiode array detection method for the determination of 12 selected highly polar nitroaromatic compounds in ground water samples of ammunition waste sites has been developed and validated. After solid-phase extraction the limits of detection were in the range
Analysis of nitrophenols and other polar nitroaromatic compounds in ammunition wastewater by high-field proton nuclear magnetic resonance (1H-NMR) spectroscopy and chromatographic methods
Preiss A, et al.
Fresenius Journal of Analytical Chemistry, 357(6), 676-683 (1997)
Yuko Fukuyama et al.
Journal of the American Society for Mass Spectrometry, 29(11), 2227-2236 (2018-08-01)
In in-source decay (ISD) in matrix-assisted laser desorption/ionization (MALDI)-mass spectrometry (MS), 1,5-diaminonaphthalene (1,5-DAN) is a most frequently used matrix probably due to the highly sensitive detection of fragment ions. 1,5-DAN is a reducing matrix generating c- and z-series ions by

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