2,3,5,6-Tetrachloroaniline(3481-20-7) MS
Product Name2,3,5,6-Tetrachloroaniline
CAS3481-20-7
Molecular FormulaC6H3Cl4N
Molecular Weight230.91
InChIInChI=1S/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2
InChIKey YTDHEFNWWHSXSU-UHFFFAOYSA-N
SmilesC1(N)=C(Cl)C(Cl)=CC(Cl)=C1Cl
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MassMS-NW-6746 2,3,5,6-tetrachloroaniline C6H3Cl4N (Mass of molecular ion: 229)
Source Temperature: 180 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.0 36.0 1.3 37.0 2.1 47.0 1.2 49.0 1.1 60.0 2.0 61.0 5.5 61.5 3.4 62.0 4.0 62.5 1.2 65.0 1.1 71.0 1.0 72.0 1.7 73.0 1.9 75.0 1.4 79.5 3.9 80.5 2.4 83.0 1.6 84.0 1.0 85.0 1.1 86.0 3.4 87.0 1.5 88.0 2.2 89.0 3.9 95.0 1.7 96.0 4.2 96.5 2.5 97.0 3.3 97.5 2.5 98.0 2.8 99.0 1.7 107.0 2.3 108.0 1.3 109.0 1.6 114.5 4.9 115.5 6.0 116.5 3.2 122.0 3.7 123.0 2.5 124.0 5.1 125.0 1.0 126.0 1.3 131.0 5.1 132.0 1.0 133.0 3.6 157.0 1.7 158.0 15.9 159.0 6.6 160.0 10.9 161.0 4.0 162.0 2.1 167.0 6.3 168.0 1.1 169.0 6.0 171.0 2.1 193.0 4.6 194.0 5.8 195.0 5.1 196.0 5.6 197.0 2.1 198.0 1.7 201.0 1.9 203.0 2.4 205.0 1.2 229.0 78.7 230.0 6.5 231.0 100.0 232.0 7.7 233.0 47.9 234.0 3.7 235.0 10.8 237.0 1.0
parameter in CDCl3
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1H NMR 300 MHz C6 H3 Cl4 N 0.050 g : 0.5 ml CDCl3 2,3,5,6-tetrachloroaniline 
Parameter ppm Hz
D(A) 6.971 D(B) 4.74
Hz ppm Int.2091.31 6.971 500 1422.01 4.740 1000
in CDCl3
KBr disc
nujol mull
