2-Bromo-4,6-difluoroaniline(444-14-4) IR1
Product Name2-Bromo-4,6-difluoroaniline
CAS444-14-4
Molecular FormulaC6H4BrF2N
Molecular Weight208
InChIInChI=1S/C6H4BrF2N/c7-4-1-3(8)2-5(9)6(4)10/h1-2H,10H2
InChIKey WUJKFVGKLTWVSQ-UHFFFAOYSA-N
SmilesC1(N)=C(F)C=C(F)C=C1Br
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MassMS-NW-9375 2-bromo-4,6-difluoroaniline C6H4BrF2N (Mass of molecular ion: 207)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
28.0 1.6 31.0 4.8 37.0 1.2 50.0 4.7 51.0 5.3 52.0 5.0 55.0 1.0 56.0 3.0 57.0 4.7 61.0 2.4 62.0 1.9 63.0 1.1 63.5 6.3 64.0 4.2 70.0 1.1 75.0 5.7 76.0 2.9 77.0 1.1 78.0 2.4 79.0 1.2 80.0 2.7 81.0 8.5 82.0 2.8 83.0 1.1 99.0 5.3 100.0 14.7 101.0 28.1 102.0 2.7 103.5 6.3 104.5 6.0 107.0 4.2 108.0 30.3 109.0 2.7 126.0 2.6 127.0 16.0 128.0 41.2 129.0 3.8 179.0 2.9 181.0 2.8 206.0 1.8 207.0 100.0 208.0 8.9 209.0 97.6 210.0 6.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H4 Br F2 N 0.034 g : 0.5 ml CDCl3 2-bromo-4,6-difluoroaniline 
Assign. Shift(ppm)
A 7.014 B 6.793 C 3.9
Hz ppm Int.2809.69 7.031 638 2807.50 7.025 822 2807.01 7.024 813 2804.81 7.019 700 2801.76 7.011 667 2799.56 7.006 830 2799.07 7.004 821 2796.88 6.999 702 2728.27 6.827 24 2725.71 6.821 579 2722.90 6.814 546 2720.21 6.807 49 2717.41 6.800 604 2714.84 6.794 1000 2712.28 6.787 580 2709.84 6.781 56 2706.67 6.773 586 2703.86 6.766 555 1575.93 3.944 483
in CDCl3
KBr disc
nujol mull
