4-BROMO-2-METHYLANILINE(583-75-5) IR1
Product Name4-BROMO-2-METHYLANILINE
CAS583-75-5
Molecular FormulaC7H8BrN
Molecular Weight186.05
InChIInChI=1S/C7H8BrN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3
InChIKey PCHYYOCUCGCSBU-UHFFFAOYSA-N
SmilesC1(N)=CC=C(Br)C=C1C
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MassMS-NW-6224 4-bromo-o-toluidine C7H8BrN (Mass of molecular ion: 185)
Source Temperature: 240 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.2 26.0 1.1 27.0 3.6 28.0 5.2 30.0 4.7 37.0 1.9 38.0 3.9 39.0 6.9 39.5 1.0 40.0 1.4 41.0 2.9 42.0 2.1 49.0 1.1 50.0 6.9 51.0 12.0 51.5 2.7 52.0 10.4 52.5 8.6 53.0 12.4 54.0 3.2 61.0 1.5 62.0 2.9 63.0 5.8 64.0 1.9 65.0 2.7 66.0 1.9 74.0 2.5 75.0 2.6 76.0 2.7 77.0 22.2 78.0 13.6 79.0 17.9 80.0 2.6 89.0 7.1 90.0 1.6 91.0 1.1 92.5 3.0 93.5 2.9 104.0 10.3 105.0 9.2 106.0 84.4 107.0 7.2 184.0 18.4 185.0 100.0 186.0 25.2 187.0 96.5 188.0 8.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H8 Br N 0.041 g : 0.5 ml CDCl3 4-bromo-o-toluidine 
Assign. Shift(ppm)
A 7.16 B 7.08 C 6.521 D 3.55 E 2.119
Hz ppm Int.640.94 7.157 366 640.25 7.149 394 639.56 7.142 253 638.81 7.133 155 633.63 7.075 131 633.06 7.069 138 631.25 7.049 87 630.69 7.043 88 588.31 6.569 148 587.00 6.555 105 581.00 6.488 60 579.63 6.472 114 317.50 3.546 60 189.81 2.120 1000
in CDCl3
KBr disc
nujol mull
