2,5-Dichloronitrobenzene(89-61-2) IR1
Product Name2,5-Dichloronitrobenzene
CAS89-61-2
Molecular FormulaC6H3Cl2NO2
Molecular Weight192
InChIInChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChIKey RZKKOBGFCAHLCZ-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(Cl)C=C1[N+]([O-])=O
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MassMS-NW-1853 1,4-dichloro-2-nitrobenzene C6H3Cl2NO2 (Mass of molecular ion: 191)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.2 28.0 6.4 30.0 94.8 35.0 1.6 36.0 2.9 37.0 14.1 38.0 8.5 39.0 1.6 46.0 2.2 47.0 2.7 48.0 1.5 49.0 7.7 50.0 26.3 51.0 4.2 54.5 1.2 60.0 3.8 61.0 8.7 62.0 7.0 63.0 11.1 64.0 1.4 71.0 1.0 72.0 4.3 73.0 23.5 74.0 74.3 75.0 56.3 76.0 4.3 83.0 3.6 84.0 18.9 85.0 13.0 86.0 7.2 87.0 4.9 88.0 1.6 97.0 3.2 98.0 2.2 99.0 1.0 107.0 2.2 108.0 4.5 109.0 100.0 110.0 23.2 111.0 32.8 112.0 7.4 118.0 1.0 119.0 2.5 121.0 1.6 124.0 1.4 126.0 1.8 128.0 1.0 133.0 91.0 134.0 5.2 135.0 58.7 136.0 3.2 137.0 9.7 144.0 1.5 145.0 85.1 146.0 6.7 147.0 53.8 148.0 3.8 149.0 8.6 161.0 9.4 163.0 6.3 165.0 1.0 175.0 2.5 177.0 1.6 191.0 65.2 192.0 4.6 193.0 42.2 194.0 3.0 195.0 6.9
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 Cl2 N O2 0.043 g : 0.5 ml CDCl3 1,4-dichloro-2-nitrobenzene 
Assign. Shift(ppm)
A 7.887 B 7.51 ASSIGNED BY C-H COSY.
Hz ppm Int.3153.44 7.891 240 3152.10 7.888 399 3150.63 7.884 244 3003.78 7.517 984 3002.32 7.513 1000
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1H NMR 89.56 MHz C6 H3 Cl2 N O2 0.048 g : 0.5 ml CDCl3 1,4-dichloro-2-nitrobenzene Assign. Shift(ppm)
A 7.878 B 7.51
Hz ppm Int.707.00 7.895 222 705.63 7.879 391 704.25 7.864 244 702.00 7.839 38 701.19 7.830 30 673.13 7.516 1000 671.75 7.501 925 666.31 7.440 32 665.94 7.436 29 665.06 7.426 27
in CDCl3
KBr disc
nujol mull
4880 A,100M,powder
