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41980

Supelco

1,3-Dinitrobenzene

for the detection of steroids

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About This Item

Linear Formula:
C6H4(NO2)2
CAS Number:
99-65-0
Molecular Weight:
168.11
Beilstein/REAXYS Number:
1105654
EC Number:
202-776-8
MDL number:
MFCD00007222
UNSPSC Code:
12164500
PubChem Substance ID:
329756169
NACRES:
NA.21

grade

derivatization grade ((HPLC))

Quality Level

100

assay

≥99.0% (HPLC)

form

powder or crystals

quality

for the detection of steroids

bp

297 °C (lit.)

mp

84-86 °C (lit.)
89-92 °C

density

1.368 g/mL at 25 °C (lit.)

cation traces

Ca: ≤10 mg/kg
Cd: ≤5 mg/kg
Co: ≤5 mg/kg
Cr: ≤5 mg/kg
Cu: ≤5 mg/kg
Fe: ≤5 mg/kg
K: ≤50 mg/kg
Mg: ≤5 mg/kg
Mn: ≤5 mg/kg
Na: ≤50 mg/kg
Ni: ≤5 mg/kg
Pb: ≤5 mg/kg
Zn: ≤5 mg/kg

application(s)

general analytical

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 a steam volatile, crystallizes from ethanol in the form of pale yellow rhombic-bipyramidal plates. It does not react with aqueous sodium hydroxide or sodium sulphite solution. It can be useful in manufacturing explosives, lubricants, polymerization inhibitors and corrosion inhibitors.

application

It was used in preparing mobile phase for achiral tests to evaluate both thermodynamic and kinetic performances of the Crab-like columns in resolution of a wide range of racemates (like benzodiazepines, N-derivatized amino acids, and free carboxylic acids) both in normal phase and polar organic mode.

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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_germany

WGK 3

flash_point_f

302.0 °F - closed cup

flash_point_c

150 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
BCBZ5245

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Wiley-VCH
Ullmann's Fine Chemicals, 3, 140-141 (2014)
Hui Li et al.
Environmental science & technology, 41(4), 1251-1256 (2007-06-28)
Sorption of organic contaminants by soils is a determinant controlling their transport and fate in the environment. The influence of ionic strength on nitroaromatic compound sorption by K+- and Ca2+ -saturated smectite was examined. Sorption of 1,3-dinitrobenzene by K-smectite increased
Christopher Badeen et al.
Journal of hazardous materials, 188(1-3), 52-57 (2011-02-15)
During the production of nitrobenzene by an adiabatic nitration process, the main byproducts are mono and dinitrophenols as well as 2,4,6-trinitrophenol (picric acid) and 1,3-dinitrobenzene. The byproducts can become concentrated if a distillation step to remove high boiling point impurities
Yipei Wang et al.
Toxicological sciences : an official journal of the Society of Toxicology, 125(2), 509-521 (2011-11-23)
Astrocytes are acutely sensitive to 1,3-dinitrobenzene (1,3-DNB) while adjacent neurons are relatively unaffected, consistent with other chemically-induced energy deprivation syndromes. Previous studies have investigated the role of astrocytes in protecting neurons from hypoxia and chemical injury via adenosine release. Adenosine
Naomi D Elkin et al.
Toxicological sciences : an official journal of the Society of Toxicology, 117(2), 439-448 (2010-07-14)
Evaluation of testicular toxicity during drug development is currently based on histopathological evaluation. A sensitive biomarker for testicular toxicology could provide an in-life and "early warning" measurement. Previous studies suggested that disruption of spermatogenesis induced leakage of germ cell proteins
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