2,4,6-Trichloroaniline (634-93-5) IR3
Product Name2,4,6-Trichloroaniline
CAS634-93-5
Molecular FormulaC6H4Cl3N
Molecular Weight196.46
InChIInChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey NATVSFWWYVJTAZ-UHFFFAOYSA-N
SmilesC1(N)=C(Cl)C=C(Cl)C=C1Cl
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MassMS-NW-8752 2,4,6-trichloroaniline C6H4Cl3N (Mass of molecular ion: 195)
Source Temperature: 270 °C Sample Temperature: 140 °C Reservoir, 75 eV
28.0 1.6 36.0 1.9 37.0 2.1 38.0 1.7 44.5 3.5 48.0 1.2 49.0 1.5 52.0 4.0 60.0 1.2 61.0 4.8 61.5 2.3 62.0 7.8 62.5 4.1 63.0 4.6 63.5 1.0 64.0 1.1 65.0 1.8 72.0 1.8 73.0 4.1 74.0 1.7 75.0 2.1 79.5 5.4 80.0 1.1 80.5 3.6 83.0 1.3 85.0 1.0 86.0 1.1 88.0 7.3 89.0 3.2 90.0 2.9 96.0 1.3 97.0 8.6 97.5 8.0 98.0 2.5 98.5 7.7 99.0 4.2 99.5 2.5 100.0 1.0 107.0 2.0 109.0 1.5 123.0 4.4 124.0 20.5 125.0 5.4 126.0 6.8 127.0 1.3 132.0 3.9 133.0 7.4 134.0 3.2 135.0 4.9 159.0 13.5 160.0 9.7 161.0 9.3 162.0 5.9 163.0 1.8 164.0 1.0 167.0 2.7 168.0 1.2 169.0 2.7 170.0 1.1 194.0 1.3 195.0 100.0 196.0 8.6 197.0 95.3 198.0 7.5 199.0 30.5 200.0 2.3 201.0 3.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H4 Cl3 N 0.039 g : 0.5 ml CDCl3 2,4,6-trichloroaniline 
Assign. Shift(ppm)
A 7.180 B 4.42
Hz ppm Int.2869.51 7.181 1000 1768.80 4.426 67
in CDCl3
CCl4 solution
KBr disc
nujol mull
