4-Bromo-2,6-dichloroaniline(697-88-1) IR2
Product Name4-Bromo-2,6-dichloroaniline
CAS697-88-1
Molecular FormulaC6H4BrCl2N
Molecular Weight240.91
InChIInChI=1S/C6H4BrCl2N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2
InChIKey NPQBZKNXJZARBJ-UHFFFAOYSA-N
SmilesC1(N)=C(Cl)C=C(Br)C=C1Cl
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MassMS-KW-0234 4-bromo-2,6-dichloroaniline C6H4BrCl2N (Mass of molecular ion: 239)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 2.0 36.0 1.7 37.0 3.4 38.0 2.5 39.0 1.3 44.0 1.3 44.5 5.9 45.0 1.1 48.0 1.2 49.0 1.8 50.0 1.5 51.0 1.1 52.0 5.5 60.0 1.7 61.0 7.3 61.5 2.1 62.0 12.0 62.5 7.2 63.0 7.9 63.5 2.1 64.0 1.6 65.0 2.3 72.0 1.7 73.0 4.1 74.0 2.5 75.0 2.6 79.5 3.2 80.0 2.8 80.5 2.2 81.0 2.0 86.0 1.5 87.0 1.2 88.0 7.1 89.0 5.8 90.0 6.1 96.0 1.6 97.0 7.3 98.0 2.1 99.0 3.0 101.5 1.1 102.5 1.4 119.5 2.7 120.0 2.3 120.5 7.6 121.5 3.4 124.0 24.7 125.0 7.0 126.0 8.3 127.0 2.5 133.0 6.1 135.0 3.8 159.0 1.3 160.0 20.8 161.0 2.3 162.0 13.2 163.0 1.1 164.0 2.2 168.0 1.9 170.0 1.9 177.0 1.1 179.0 1.3 203.0 2.8 204.0 1.3 205.0 3.6 206.0 1.4 211.0 1.3 213.0 2.0 239.0 62.3 240.0 5.5 241.0 100.0 242.0 7.5 243.0 45.0 244.0 3.3 245.0 6.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6H4BrCl2N 0.036 g : 0.5 ml CDCl3 4-bromo-2,6-dichloroaniline 
Assign. Shift(ppm)
A 7.309 B 4.44
Hz ppm Int.2925.18 7.317 36 2922.12 7.310 1000 1778.69 4.450 23
in CDCl3
KBr disk
Nujol
