2-Fluoro-5-nitrotoluene(455-88-9) IR1
Product Name2-Fluoro-5-nitrotoluene
CAS455-88-9
Molecular FormulaC7H6FNO2
Molecular Weight155.13
InChIInChI=1S/C7H6FNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
InChIKey XUCYJGMIICONES-UHFFFAOYSA-N
SmilesC1(F)=CC=C([N+]([O-])=O)C=C1C
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MassMS-NW-6616 2-fluoro-5-nitrotoluene C7H6FNO2 (Mass of molecular ion: 155)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.6 27.0 1.6 28.0 3.2 30.0 8.7 31.0 3.8 33.0 1.0 37.0 1.9 38.0 2.9 39.0 11.1 46.0 1.0 50.0 5.7 51.0 7.9 52.0 1.1 56.0 1.8 57.0 19.1 58.0 1.1 59.0 6.8 61.0 3.0 62.0 6.2 63.0 15.0 64.0 1.7 65.0 1.3 68.0 1.5 69.0 1.4 70.0 1.8 71.0 1.2 74.0 2.4 75.0 2.7 77.0 8.0 78.0 1.0 80.0 1.4 81.0 7.8 82.0 3.0 83.0 63.6 84.0 4.0 85.0 1.4 86.0 1.7 87.0 1.7 89.0 8.0 90.0 1.0 91.0 1.3 95.0 5.8 96.0 3.1 97.0 15.6 98.0 1.0 105.0 1.5 107.0 16.0 108.0 8.5 109.0 100.0 110.0 8.0 125.0 30.8 126.0 2.6 139.0 3.3 154.0 1.4 155.0 96.1 156.0 8.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 F N O2 0.044 g : 0.5 ml CDCl3 2-fluoro-5-nitrotoluene 
Assign. Shift(ppm)
A 8.134 B 8.089 C 7.149 D 2.380
Hz ppm Int.3255.62 8.147 134 3255.13 8.145 135 3252.69 8.139 168 3252.20 8.138 169 3249.15 8.130 129 3248.66 8.129 130 3246.22 8.123 164 3245.73 8.122 164 3240.72 8.109 118 3240.11 8.108 117 3237.79 8.102 96 3237.18 8.101 110 3236.33 8.098 133 3235.72 8.097 124 3233.40 8.091 89 3232.79 8.090 95 3231.81 8.087 119 3231.20 8.086 114 3228.88 8.080 99 3228.27 8.078 112 3227.42 8.076 124 3226.81 8.075 112 3224.49 8.069 82 3223.88 8.067 76 2865.60 7.171 228 2857.06 7.149 386 2848.14 7.127 207 963.62 2.412 31 961.67 2.407 38 961.30 2.406 39 960.94 2.405 40 952.39 2.384 1000 950.20 2.378 923
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1H NMR 89.56 MHz C7 H6 F N O2 0.048 g : 0.5 ml CDCl3 2-fluoro-5-nitrotoluene Assign. Shift(ppm)
A 8.14 B 8.06 C 7.12 D 2.37
Hz ppm Int.732.94 8.184 63 731.19 8.165 309 730.50 8.157 337 729.25 8.143 139 728.50 8.135 75 727.44 8.123 48 726.44 8.112 164 725.63 8.103 289 725.25 8.098 251 723.56 8.080 172 722.88 8.072 211 721.19 8.053 49 720.75 8.048 61 720.19 8.042 83 719.56 8.035 98 718.63 8.025 139 718.13 8.019 126 715.75 7.992 64 715.13 7.985 65 649.69 7.255 50 647.69 7.232 126 646.81 7.223 107 640.00 7.147 173 639.56 7.142 202 639.13 7.137 198 638.75 7.133 173 637.06 7.114 98 632.13 7.059 42 629.81 7.033 116 214.00 2.390 952 212.56 2.374 596 211.81 2.366 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
