5-Chloro-2-fluorotoluene(452-66-4) 1H NMR
Product Name5-Chloro-2-fluorotoluene
CAS452-66-4
Molecular FormulaC7H6ClF
Molecular Weight144.57
InChIInChI=1S/C7H6ClF/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey JOXXHDGUTVUBDL-UHFFFAOYSA-N
SmilesC1(F)=CC=C(Cl)C=C1C
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MassMS-KW-0413 5-chloro-2-fluorotoluene C7H6ClF (Mass of molecular ion: 144)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.2 39.0 2.4 43.0 1.3 44.0 5.8 50.0 2.1 51.0 1.8 53.5 1.4 54.0 6.2 57.0 5.4 61.0 1.9 62.0 3.2 63.0 4.1 71.5 1.0 72.0 1.9 73.0 2.0 74.0 1.1 75.0 1.0 81.0 3.3 83.0 9.9 89.0 2.1 107.0 9.2 108.0 3.8 109.0 100.0 110.0 7.7 117.0 2.2 143.0 16.1 144.0 55.4 145.0 9.3 146.0 17.8 147.0 1.3
parameter neat
400 MHz in CDCl3
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1H NMR 300 MHz C7 H6 Cl F neat 5-chloro-2-fluorotoluene 
Parameter ppm Hz
D(A) 6.905 D(B) 6.913 D(C) 6.718 D(D) 2.090 J(A,B) 2.79 J(A,C) 0.56 J(A,D) -0.73 J(A,X) 6.59 J(B,C) 8.20 J(B,D) -0.66 J(B,X) 4.51 J(C,D) 0.33 J(C,X) 9.34 J(D,X) 2.25 ALBRIKTSEN,P. &.HANSEN,G. ACTA CHEM.SCAND. 26, 2511 (1972)
Hz ppm Int.2082.54 6.942 40 2082.00 6.940 42 2079.83 6.933 104 2079.20 6.931 109 2078.52 6.928 86 2076.62 6.922 182 2075.85 6.919 170 2074.04 6.913 306 2073.45 6.911 352 2068.84 6.896 278 2068.30 6.894 297 2066.67 6.889 149 2066.13 6.887 154 2024.38 6.748 175 2021.17 6.737 46 2018.50 6.728 51 2015.20 6.717 279 2012.62 6.709 38 2006.74 6.689 127 628.13 2.094 1000 626.19 2.087 850
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1H NMR 399.65 MHz C7H6ClF 0.05 ml : 0.5 ml CDCl3 5-chloro-2-fluorotoluene Assign. Shift(ppm)
A 7.109 B 7.064 C 6.885 D 2.212
Hz ppm Int.2846.68 7.121 160 2846.32 7.120 170 2845.83 7.119 167 2845.59 7.118 164 2844.73 7.116 140 2844.00 7.114 204 2843.63 7.113 207 2843.14 7.112 205 2842.90 7.112 188 2839.73 7.104 162 2839.24 7.102 161 2838.99 7.102 155 2838.14 7.100 136 2837.41 7.098 198 2837.04 7.097 200 2836.55 7.096 204 2832.04 7.084 133 2831.43 7.083 135 2830.82 7.081 75 2829.35 7.078 104 2828.74 7.076 110 2828.13 7.075 105 2827.64 7.073 144 2827.03 7.072 141 2826.42 7.070 82 2824.83 7.066 104 2824.22 7.065 119 2823.37 7.063 165 2822.76 7.061 160 2822.15 7.060 90 2820.68 7.056 134 2820.07 7.055 141 2819.46 7.053 122 2818.97 7.052 163 2818.36 7.050 157 2816.29 7.045 119 2815.68 7.044 119 2760.63 6.906 290 2751.96 6.884 412 2751.59 6.883 408 2742.92 6.862 231 903.69 2.261 16 885.75 2.216 849 885.14 2.215 1000 883.92 2.211 748 883.67 2.211 743 882.94 2.209 902 881.84 2.206 664
in CDCl3
