4-Bromo-2-fluorotoluene(51436-99-8) Raman
Product Name4-Bromo-2-fluorotoluene
CAS51436-99-8
Molecular FormulaC7H6BrF
Molecular Weight189.02
InChIInChI=1S/C7H6BrF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
InChIKey YZFVUQSAJMLFOZ-UHFFFAOYSA-N
SmilesC1(C)=CC=C(Br)C=C1F
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MassMS-IW-7546 4-bromo-2-fluorotoluene C7H6BrF (Mass of molecular ion: 188)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.6 38.0 1.4 39.0 3.5 43.0 1.3 44.0 6.3 50.0 3.3 51.0 2.5 54.0 3.3 57.0 6.8 59.0 1.7 61.0 1.9 62.0 3.6 63.0 5.7 68.0 1.3 74.0 1.8 75.0 1.2 80.0 1.1 81.0 5.1 82.0 1.8 83.0 16.0 84.0 3.1 85.0 2.8 86.0 1.0 89.0 3.0 94.0 2.5 95.0 1.9 107.0 13.7 108.0 15.5 109.0 100.0 110.0 8.1 187.0 15.2 188.0 73.2 189.0 20.6 190.0 71.2 191.0 5.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H6 Br F 0.05 ml : 0.5 ml CDCl3 4-bromo-2-fluorotoluene 
Assign. Shift(ppm)
A 7.28 B 7.156 C 2.339
Hz ppm Int.2917.72 7.301 160 2915.77 7.296 280 2913.45 7.291 212 2913.09 7.290 207 2908.57 7.278 181 2908.20 7.277 179 2906.01 7.272 482 2903.93 7.267 189 2866.58 7.173 151 2866.21 7.172 152 2865.84 7.171 139 2858.89 7.154 222 2858.28 7.152 235 2855.96 7.147 46 2852.66 7.138 37 2851.93 7.137 41 2850.46 7.133 100 2849.73 7.131 107 936.04 2.343 852 933.96 2.337 1000
in CDCl3
liquid film
