1,4-DINITROBENZENE(100-25-4) IR3
Product Name1,4-DINITROBENZENE
CAS100-25-4
Molecular FormulaC6H4N2O4
Molecular Weight168.11
InChIInChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H
InChIKey FYFDQJRXFWGIBS-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)=CC=C([N+]([O-])=O)C=C1
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MassMS-NW-3757 p-dinitrobenzene C6H4N2O4 (Mass of molecular ion: 168)
Source Temperature: 200 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.0 26.0 1.6 27.0 1.0 28.0 4.9 30.0 100.0 37.0 5.0 38.0 7.7 39.0 5.5 46.0 1.8 49.0 2.0 50.0 53.9 51.0 6.9 52.0 2.5 53.0 3.7 54.0 1.3 61.0 2.8 62.0 4.6 63.0 15.0 64.0 22.8 65.0 1.7 73.0 3.0 74.0 19.6 75.0 81.0 76.0 58.8 77.0 5.5 92.0 28.1 93.0 2.2 122.0 30.6 123.0 2.3 152.0 2.6 168.0 92.1 169.0 6.8 170.0 1.0
parameter in CDCl3
parameter in cyclohexane + acetone
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1H NMR 300 MHz C6 H4 N2 O4 0.039 g : 0.5 ml CDCl3 p-dinitrobenzene 
Parameter ppm Hz
D(A) 8.456
Hz ppm Int.2536.80 8.456 1000
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1H NMR 300 MHz C6 H4 N2 O4 in cyclohexane + acetone p-dinitrobenzene Parameter ppm Hz
D(A) 8.413 MARTIN,J. & DAILEY,B.P. J.CHEM.PHYS. 37, 2594 (1962)
Hz ppm Int.2523.90 8.413 1000
CCl4 solution
KBr disc
nujol mull
ANION RADICAL, ELECTROLYTIC REDUCTION IN CH3CN
ANION RADICAL, ELECTROLYTIC REDUCTION IN DMF
ANION RADICAL, ELECTROREDUCTION IN DMF, RT
