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
Mass
MS-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
1H NMR | 300 MHz |
C6 H4 N2 O4 | 0.039 g : 0.5 ml CDCl3 |
p-dinitrobenzene |
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Parameter ppm Hz |
Hz ppm Int.
2536.80 8.456 1000
1H NMR | 300 MHz |
C6 H4 N2 O4 | in cyclohexane + acetone |
p-dinitrobenzene |
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Parameter ppm Hz |
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
1,4-DINITROBENZENE(100-25-4) IR3 Atlas of Related Products
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