2,4,6-TRICHLORONITROBENZENE(18708-70-8) IR2
Product Name2,4,6-TRICHLORONITROBENZENE
CAS18708-70-8
Molecular FormulaC6H2Cl3NO2
Molecular Weight226.44
InChIInChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
InChIKey AEBJDOTVYMITIA-UHFFFAOYSA-N
SmilesC1(Cl)=CC(Cl)=CC(Cl)=C1[N+]([O-])=O
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MassMS-NW-1416 1,3,5-trichloro-2-nitrobenzene C6H2Cl3NO2 (Mass of molecular ion: 225)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.4 28.0 4.7 30.0 77.9 35.0 2.4 36.0 5.5 37.0 14.4 38.0 4.7 46.0 3.4 47.0 4.1 48.0 2.0 49.0 6.6 50.0 4.5 51.0 1.1 54.0 2.0 60.0 4.6 61.0 9.7 62.0 7.2 63.0 1.4 71.0 3.5 71.5 1.0 72.0 7.6 73.0 26.5 74.0 60.6 75.0 5.5 83.0 7.9 84.0 28.9 85.0 6.8 86.0 10.4 87.0 3.1 88.0 1.8 95.0 1.5 96.0 2.9 97.0 12.8 98.0 2.9 99.0 3.9 106.0 1.4 107.0 14.4 108.0 34.7 109.0 51.0 110.0 14.7 111.0 15.7 112.0 1.2 118.0 3.6 119.0 5.0 120.0 2.6 121.0 3.3 122.0 1.0 131.0 1.6 132.0 2.9 133.0 1.2 134.0 1.9 143.0 60.8 144.0 32.8 145.0 40.9 146.0 21.2 147.0 7.5 148.0 3.5 158.0 1.5 160.0 3.9 162.0 2.3 167.0 74.8 168.0 4.3 169.0 72.9 170.0 4.1 171.0 23.8 172.0 1.2 173.0 2.7 179.0 53.2 180.0 4.1 181.0 51.3 182.0 3.8 183.0 16.1 184.0 1.2 185.0 1.8 195.0 100.0 196.0 6.8 197.0 96.7 198.0 6.3 199.0 31.5 200.0 2.2 201.0 3.5 209.0 5.2 211.0 5.1 213.0 1.7 225.0 91.6 226.0 6.5 227.0 88.6 228.0 6.3 229.0 28.4 230.0 2.0 231.0 3.2
parameter in CDCl3
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1H NMR 300 MHz C6 H2 Cl3 N O2 0.047 g : 0.5 ml CDCl3 1,3,5-trichloro-2-nitrobenzene 
Parameter ppm Hz
D(A) 7.464
Hz ppm Int.2239.20 7.464 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
