2,4-Dichloronitrobenzene(611-06-3) IR1
Product Name2,4-Dichloronitrobenzene
CAS611-06-3
Molecular FormulaC6H3Cl2NO2
Molecular Weight192
InChIInChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChIKey QUIMTLZDMCNYGY-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)=CC=C(Cl)C=C1Cl
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MassMS-NW-7626 2,4-dichloro-1-nitrobenzene C6H3Cl2NO2 (Mass of molecular ion: 191)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
26.0 1.1 28.0 8.0 30.0 44.7 35.0 1.7 36.0 6.8 37.0 10.7 38.0 6.2 39.0 1.5 44.0 1.3 46.0 1.8 47.0 2.1 48.0 1.3 49.0 5.9 50.0 21.9 51.0 3.6 54.5 1.2 55.0 1.0 60.0 3.0 61.0 6.5 62.0 5.9 63.0 9.2 64.0 1.5 71.0 1.0 72.0 3.8 73.0 19.2 74.0 58.9 75.0 46.3 76.0 3.7 83.0 3.8 84.0 15.2 85.0 12.3 86.0 5.9 87.0 4.6 88.0 1.4 97.0 3.0 98.0 2.0 99.0 1.2 107.0 2.6 108.0 3.4 109.0 100.0 110.0 20.9 111.0 33.2 112.0 6.7 119.0 2.4 121.0 1.6 124.0 1.3 126.0 1.6 133.0 62.0 134.0 3.8 135.0 41.1 136.0 2.5 137.0 6.4 144.0 1.7 145.0 76.9 146.0 6.3 147.0 49.0 148.0 3.7 149.0 8.2 161.0 62.7 162.0 4.7 163.0 40.8 164.0 2.9 165.0 6.7 175.0 5.5 177.0 3.8 191.0 92.0 192.0 7.0 193.0 59.0 194.0 4.6 195.0 10.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H3 Cl2 N O2 0.043 g : 0.5 ml CDCl3 2,4-dichloro-1-nitrobenzene 
Assign. Shift(ppm)
A 7.873 B 7.574 C 7.410 J(A,C)=8.7HZ. J(B,C)=2.2HZ.
Hz ppm Int.
710.31 7.932 566 701.63 7.835 838 679.56 7.588 717 677.44 7.565 1000 668.06 7.460 790 665.88 7.436 573 663.50 7.409 26 659.38 7.363 508 657.19 7.338 408 655.44 7.319 28
in CDCl3
KBr disc
