Product Name2,3-Dichloronitrobenzene
CAS3209-22-1
Molecular FormulaC6H3Cl2NO2
Molecular Weight192
InChIInChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChIKey CMVQZRLQEOAYSW-UHFFFAOYSA-N
SmilesC1(Cl)=CC=CC([N+]([O-])=O)=C1Cl
Mass
MS-NW-8884 1,2-dichloro-3-nitrobenzene C6H3Cl2NO2 (Mass of molecular ion: 191)
Source Temperature: 280 °C Sample Temperature: 140 °C Reservoir, 75 eV
28.0 3.5 30.0 40.2 36.0 3.2 37.0 3.9 38.0 3.2 39.0 1.9 46.0 1.0 49.0 4.3 50.0 8.5 51.0 2.8 61.0 4.4 62.0 3.1 63.0 6.7 72.0 2.8 73.0 12.5 74.0 42.4 75.0 39.2 76.0 2.7 83.0 2.3 84.0 17.7 85.0 11.4 86.0 6.5 87.0 4.2 88.0 1.0 97.0 2.4 98.0 1.9 107.0 3.2 108.0 2.8 109.0 94.5 110.0 18.5 111.0 31.0 112.0 5.8 119.0 2.4 121.0 1.7 126.0 2.5 128.0 1.1 133.0 67.6 134.0 3.9 135.0 43.7 136.0 2.5 137.0 7.1 144.0 1.4 145.0 100.0 146.0 7.5 147.0 63.6 148.0 4.4 149.0 10.3 161.0 22.8 162.0 1.6 163.0 14.7 164.0 1.0 165.0 2.5 175.0 2.1 177.0 1.4 191.0 96.7 192.0 6.9 193.0 62.4 194.0 4.4 195.0 10.3
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C6 H3 Cl2 N O2 | 0.05 ml : 0.5 ml CDCl3 |
1,2-dichloro-3-nitrobenzene |
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Assign. Shift(ppm) |
Hz ppm Int.
695.38 7.765 254 694.63 7.757 447 693.63 7.745 402 692.81 7.736 334 686.50 7.666 926 685.75 7.657 1000 667.63 7.455 575 660.56 7.376 315 658.69 7.355 227 651.63 7.276 274
in CDCl3
KBr disc
nujol mull
4880 A,100M,powder
2,3-Dichloronitrobenzene(3209-22-1) IR2 Atlas of Related Products