2,3,4,5-TETRACHLOROANILINE(634-83-3) MS
Product Name2,3,4,5-TETRACHLOROANILINE
CAS634-83-3
Molecular FormulaC6H3Cl4N
Molecular Weight230.91
InChIInChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2
InChIKey GBKZRUCVLTWAML-UHFFFAOYSA-N
SmilesC1(N)=CC(Cl)=C(Cl)C(Cl)=C1Cl
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MassMS-NW-6812 2,3,4,5-tetrachloroaniline C6H3Cl4N (Mass of molecular ion: 229)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 2.9 28.0 1.2 35.0 1.1 36.0 2.0 37.0 1.4 44.0 1.2 47.0 1.2 49.0 1.0 52.0 1.5 60.0 1.8 61.0 6.2 61.5 3.3 62.0 4.5 62.5 1.2 71.0 1.5 72.0 1.8 73.0 1.9 75.0 1.6 79.5 4.5 80.5 2.7 83.0 2.0 84.0 1.1 85.0 1.3 86.0 2.5 87.0 1.3 88.0 2.3 89.0 4.4 95.0 1.5 96.0 4.8 96.5 2.6 97.0 4.2 97.5 2.4 98.0 3.2 98.5 1.0 99.0 2.3 107.0 2.9 108.0 1.4 109.0 1.9 114.5 4.4 115.5 5.9 116.5 2.8 122.0 3.6 123.0 2.1 124.0 5.2 125.0 1.0 126.0 1.4 131.0 6.0 132.0 1.1 133.0 4.6 135.0 1.2 157.0 1.5 158.0 14.9 159.0 7.0 160.0 10.5 161.0 4.2 162.0 2.0 167.0 10.9 168.0 1.3 169.0 10.0 171.0 3.6 193.0 4.5 194.0 6.7 195.0 5.4 196.0 6.6 197.0 2.7 198.0 2.2 201.0 2.4 203.0 3.0 205.0 1.5 229.0 78.4 230.0 6.4 231.0 100.0 232.0 7.5 233.0 47.7 234.0 3.6 235.0 10.6 237.0 1.0
400 MHz in CDCl3
parameter in CDCl3
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1H NMR 399.65 MHz C6 H3 Cl4 N 0.040 g : 0.5 ml CDCl3 2,3,4,5-tetrachloroaniline 
Assign. Shift(ppm)
A 6.804 B 4.25
Hz ppm Int.2719.48 6.805 1000 1699.22 4.252 130
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1H NMR 300 MHz C6 H3 Cl4 N 0.048 g : 0.5 ml CDCl3 2,3,4,5-tetrachloroaniline Parameter ppm Hz
D(A) 6.803 D(B) 4.20
Hz ppm Int.2040.89 6.803 1000 1259.99 4.200 90
in CDCl3
KBr disc
nujol mull
