2,4,6-Trichlorobenzonitrile(6575-05-9) IR2
Product Name2,4,6-Trichlorobenzonitrile
CAS6575-05-9
Molecular FormulaC7H2Cl3N
Molecular Weight206.46
InChIInChI=1S/C7H2Cl3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChIKey PGODHCIOIPODFE-UHFFFAOYSA-N
SmilesC(#N)C1=C(Cl)C=C(Cl)C=C1Cl
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MassMS-NW-9484 2,4,6-trichlorobenzonitrile C7H2Cl3N (Mass of molecular ion: 205)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
36.0 1.4 37.0 2.0 49.0 1.6 50.0 4.2 60.0 1.5 61.0 1.6 62.0 1.8 67.0 1.1 67.5 1.3 72.0 2.0 73.0 3.6 74.0 3.7 75.0 4.3 84.0 3.6 84.5 1.0 85.0 2.6 86.0 2.4 87.0 1.0 89.0 1.2 90.0 1.1 98.0 1.7 99.0 10.7 100.0 6.9 102.5 4.7 103.5 4.5 104.5 1.4 108.0 1.6 109.0 3.8 110.0 1.8 111.0 1.3 134.0 12.8 135.0 3.1 136.0 4.3 144.0 2.1 145.0 1.1 146.0 1.3 169.0 2.5 170.0 15.6 171.0 2.8 172.0 9.9 173.0 1.0 174.0 1.5 205.0 100.0 206.0 8.2 207.0 95.5 208.0 7.7 209.0 30.7 210.0 2.4 211.0 3.3
parameter in CDCl3
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1H NMR 300 MHz C7 H2 Cl3 N 0.036 g : 0.5 ml CDCl3 2,4,6-trichlorobenzonitrile 
Parameter ppm Hz
D(A) 7.474
Hz ppm Int.2242.20 7.474 1000
in CDCl3
KBr disc
nujol mull
