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102369 Sigma-Aldrich

1,4-Dinitrobenzene

98%

  • CAS Number 100-25-4

  • Linear Formula C6H4(NO2)2

  • Molecular Weight 168.11

  •  Beilstein/REAXYS Number 1105828

  •  EC Number 202-833-7

  •  MDL number MFCD00007314

  •  PubChem Substance ID 24846575

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds - Organic Building Blocks, Organic Building Blocks More...
Quality Level   100
assay   98%
bp   183.4 °C/34 mmHg (lit.)
mp   170-173 °C (lit.)
solubility   alcohol: soluble 1g in 300ml
  boiling water: soluble 1g in 555ml
  cold water: soluble 1g in 12,500ml
  benzene: very slightly soluble
  chloroform: very slightly soluble
  ethyl acetate: very slightly soluble
density   1.625 g/mL at 25 °C (lit.)
SMILES string   [O-][N+](=O)c1ccc(cc1)[N+]([O-])=O
InChI   1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
InChI key   FYFDQJRXFWGIBS-UHFFFAOYSA-N

Description

General description

Dinitrobenzene is commonly used in industrial explosives containing ammonium nitrate. 1,4-Dinitrobenzene forms negative molecular ion M-· by electron capture or charge exchange.

Application

1,4-Dinitrobenzene was used in a study to evaluate the ionization mechanism and solvent effect by novel atmospheric pressure photoionization mass spectrometry in negative ion mode for analysis of some compounds. 1,4-Dinitrobenzene can be used in synthesis of dyes and dye intermediates.

Packaging

5 g in glass bottle

Preparation Note

One gram of 1,4-Dinitrobenzene dissolves in 12,500 ml cold water, 555 ml boiling water and 300 ml alcohol.

Safety & Documentation

Safety Information

Symbol 
Signal word 
Danger
Hazard statements 
RIDADR 
UN 3443 6.1 / PGII
WGK Germany 
WGK 3
RTECS 
CZ7525000
Flash Point(F) 
302.0 °F - closed cup
Flash Point(C) 
150 °C - closed cup

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Protocols & Articles
Peer-Reviewed Papers
15

References

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