2-Bromo-4-methylaniline(583-68-6) IR2
Product Name2-Bromo-4-methylaniline
CAS583-68-6
Molecular FormulaC7H8BrN
Molecular Weight186.05
InChIInChI=1S/C7H8BrN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChIKey UVRRJILIXQAAFK-UHFFFAOYSA-N
SmilesC1(N)=CC=C(C)C=C1Br
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MassMS-NW-1580 2-bromo-p-toluidine C7H8BrN (Mass of molecular ion: 185)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.2 26.0 1.5 27.0 4.9 28.0 5.6 30.0 2.2 37.0 1.8 38.0 3.5 39.0 7.1 39.5 1.4 40.0 1.7 41.0 2.0 42.0 1.3 49.0 1.2 50.0 7.2 51.0 16.2 51.5 2.6 52.0 15.5 52.5 11.4 53.0 15.4 54.0 2.6 61.0 1.4 62.0 2.8 63.0 4.8 64.0 1.8 65.0 3.0 66.0 1.9 74.0 1.7 75.0 2.0 76.0 3.2 77.0 24.6 78.0 15.9 79.0 15.5 80.0 2.6 89.0 1.8 91.0 1.2 92.5 2.9 93.5 2.6 104.0 17.5 105.0 13.3 106.0 92.9 107.0 9.1 184.0 44.0 185.0 100.0 186.0 49.3 187.0 96.5 188.0 7.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H8 Br N 0.04 ml : 0.5 ml CDCl3 2-bromo-p-toluidine 
Assign. Shift(ppm)
A 7.213 B 6.877 C 6.647 D 3.87 E 2.202
Hz ppm Int.647.25 7.228 127 646.56 7.220 179 645.69 7.210 158 645.31 7.206 149 644.94 7.202 149 622.56 6.952 71 621.88 6.944 70 621.25 6.937 46 620.63 6.930 62 620.00 6.923 57 615.06 6.868 46 614.50 6.862 127 613.81 6.854 133 613.19 6.847 88 612.56 6.840 124 611.88 6.833 120 611.31 6.826 47 598.00 6.678 315 589.94 6.588 157 346.69 3.872 509 197.19 2.202 1000
in CDCl3
CCl4 solution
liquid film
