3,5-Dichloronitrobenzene(618-62-2) IR1
Product Name3,5-Dichloronitrobenzene
CAS618-62-2
Molecular FormulaC6H3Cl2NO2
Molecular Weight192
InChIInChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChIKey RNABGKOKSBUFHW-UHFFFAOYSA-N
SmilesC1(Cl)=CC([N+]([O-])=O)=CC(Cl)=C1
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MassMS-NW-1270 1,3-dichloro-5-nitrobenzene C6H3Cl2NO2 (Mass of molecular ion: 191)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
28.0 2.3 30.0 42.9 36.0 1.7 37.0 6.6 38.0 4.0 47.0 1.0 49.0 3.3 50.0 13.6 51.0 1.8 60.0 1.8 61.0 4.1 62.0 3.4 63.0 4.5 72.0 1.7 73.0 11.6 74.0 40.5 75.0 34.1 76.0 2.5 83.0 1.6 84.0 7.5 85.0 6.6 86.0 2.8 87.0 2.5 97.0 1.8 98.0 1.0 107.0 1.1 108.0 2.2 109.0 61.0 110.0 13.4 111.0 20.3 112.0 4.1 119.0 1.1 126.0 1.2 133.0 37.0 134.0 2.1 135.0 23.8 136.0 1.4 137.0 3.8 144.0 1.0 145.0 100.0 146.0 7.4 147.0 64.5 148.0 4.3 149.0 10.4 161.0 3.4 163.0 2.2 175.0 1.3 191.0 79.2 192.0 5.6 193.0 50.1 194.0 3.6 195.0 8.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H3 Cl2 N O2 0.044 g : 0.5 ml CDCl3 1,3-dichloro-5-nitrobenzene 
Assign. Shift(ppm)
A 8.127 B 7.694
Hz ppm Int.728.81 8.138 903 726.94 8.117 1000 690.88 7.715 318 689.00 7.694 534 687.13 7.673 275
in CDCl3
KBr disc
nujol mull
4880 A,100M,powder
