2,4-Difluorotoluene(452-76-6) IR1
Product Name2,4-Difluorotoluene
CAS452-76-6
Molecular FormulaC7H6F2
Molecular Weight128.12
InChIInChI=1S/C7H6F2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChIKey MPXDAIBTYWGBSL-UHFFFAOYSA-N
SmilesC1(C)=CC=C(F)C=C1F
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MassMS-IW-7550 2,4-difluorotoluene C7H6F2 (Mass of molecular ion: 128)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.1 44.0 1.3 50.0 1.4 51.0 2.3 54.0 1.7 57.0 3.2 63.0 1.9 63.5 1.1 64.0 1.6 75.0 2.9 77.0 2.5 81.0 2.2 83.0 1.2 101.0 7.5 107.0 4.2 109.0 3.6 125.0 3.5 126.0 2.6 127.0 100.0 128.0 51.4 129.0 3.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 F2 0.05 ml : 0.5 ml CDCl3 2,4-difluorotoluene 
Assign. Shift(ppm)
A 7.081 B 6.75 to 6.710 C 2.203 J(A,F-19)=9.5HZ.
Hz ppm Int.2843.14 7.115 55 2842.53 7.113 80 2841.80 7.111 72 2839.72 7.106 35 2839.11 7.104 36 2836.55 7.098 82 2836.06 7.097 96 2835.69 7.096 95 2835.21 7.095 91 2834.47 7.093 89 2833.74 7.091 148 2833.01 7.089 170 2832.52 7.088 135 2830.69 7.083 39 2829.83 7.081 37 2827.27 7.075 147 2826.54 7.073 168 2826.05 7.072 152 2825.07 7.069 117 2824.22 7.067 89 2818.97 7.054 79 2818.48 7.053 88 2817.75 7.051 77 2702.03 6.761 98 2698.73 6.753 265 2695.92 6.746 132 2693.73 6.741 150 2691.16 6.734 281 2689.58 6.730 248 2689.09 6.729 252 2688.60 6.728 226 2687.38 6.725 161 2687.01 6.724 162 2686.40 6.722 138 2685.91 6.721 149 2683.72 6.716 140 2683.23 6.714 136 2681.40 6.710 66 2679.57 6.705 170 2677.00 6.699 95 892.58 2.234 34 892.21 2.233 34 891.36 2.231 40 890.87 2.230 41 890.50 2.229 43 889.28 2.226 49 888.92 2.225 50 881.10 2.205 998 880.74 2.204 957 880.25 2.203 940 879.88 2.202 1000 879.03 2.200 821 878.17 2.198 630 877.81 2.197 559
in CDCl3
liquid film
