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41980

Supelco

1,3-Dinitrobenzene

for HPLC derivatization, 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:
1105654
EC Number:
202-776-8
MDL number:
MFCD00007222
UNSPSC Code:
12164500
PubChem Substance ID:
329756169
NACRES:
NA.21

grade

for HPLC derivatization

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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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

Regulatory Information

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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)
Ti-Wei Chen et al.
Chemistry, an Asian journal, 6(5), 1210-1216 (2011-03-10)
A graphene-based electrochemical sensing platform for sensitive determination of explosive nitroaromatic compounds (NACs) was constructed by means of electrochemical reduction of graphene oxide (GO) on a glassy carbon electrode (GCE). The electrochemically reduced graphene (ER-GO) adhered strongly onto the GCE
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
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
Luciano Carlos et al.
Chemosphere, 80(3), 340-345 (2010-04-27)
Previous studies of nitrobenzene (NB) degradation by Fenton and photo-Fenton technologies have demonstrated the formation and accumulation of 1,3-dinitrobenzene (1,3-DNB) as a highly toxic reaction intermediate. In the present study, we analyze the conditions that favor 1,3-DNB formation during NB
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