2,3,4,5-Tetrachloronitrobenzene(879-39-0) IR2
Product Name2,3,4,5-Tetrachloronitrobenzene
CAS879-39-0
Molecular FormulaC6HCl4NO2
Molecular Weight260.89
InChIInChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H
InChIKey MTBYTWZDRVOMBR-UHFFFAOYSA-N
SmilesC1(Cl)=CC([N+]([O-])=O)=C(Cl)C(Cl)=C1Cl
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MassMS-NW-6748 1,2,3,4-tetrachloro-5-nitrobenzene C6HCl4NO2 (Mass of molecular ion: 259)
Source Temperature: 180 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.3 28.0 1.0 30.0 62.5 35.0 3.0 36.0 5.9 37.0 8.7 38.0 1.1 46.0 3.2 47.0 5.1 48.0 1.8 49.0 3.0 60.0 5.1 61.0 8.0 62.0 1.4 71.0 6.9 71.5 1.4 72.0 6.8 72.5 1.1 73.0 23.4 74.0 2.6 83.0 5.0 84.0 11.6 85.0 3.1 86.0 5.2 87.0 2.4 89.0 2.0 90.0 2.2 94.0 1.9 95.0 2.9 96.0 6.3 97.0 1.7 98.0 2.5 106.0 2.7 107.0 11.3 108.0 56.3 109.0 8.9 110.0 18.8 111.0 1.9 117.0 1.5 118.0 12.2 119.0 3.1 120.0 8.1 121.0 2.1 122.0 2.3 130.0 1.2 131.0 8.5 132.0 1.6 133.0 5.6 135.0 1.0 141.0 3.8 142.0 13.3 143.0 35.6 144.0 11.2 145.0 22.8 146.0 3.4 147.0 4.1 153.0 1.1 155.0 1.0 166.0 1.9 167.0 1.0 168.0 2.0 177.0 22.5 178.0 47.1 179.0 24.4 180.0 46.2 181.0 10.4 182.0 15.2 183.0 1.9 184.0 2.0 192.0 1.1 194.0 4.9 196.0 5.2 198.0 2.5 201.0 73.8 202.0 4.6 203.0 94.5 204.0 5.8 205.0 46.5 206.0 2.9 207.0 10.5 209.0 1.0 212.0 1.2 213.0 69.4 214.0 6.2 215.0 89.4 216.0 6.9 217.0 43.7 218.0 3.3 219.0 9.7 221.0 1.0 229.0 20.3 230.0 1.8 231.0 25.4 232.0 2.2 233.0 12.7 234.0 1.1 235.0 3.0 243.0 2.2 245.0 3.0 247.0 1.5 259.0 77.6 260.0 5.9 261.0 100.0 262.0 7.1 263.0 48.8 264.0 3.7 265.0 11.0 267.0 1.0
parameter in CDCl3
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1H NMR 300 MHz C6 H Cl4 N O2 0.044 g : 0.5 ml CDCl3 1,2,3,4-tetrachloro-5-nitrobenzene 
Parameter ppm Hz
D(A) 7.895
Hz ppm Int.2368.50 7.895 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
