2-Chloro-6-fluorobenzyl chloride(55117-15-2) IR1
Product Name2-Chloro-6-fluorobenzyl chloride
CAS55117-15-2
Molecular FormulaC7H5Cl2F
Molecular Weight179.02
InChIInChI=1S/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey MJGOLNNLNQQIHR-UHFFFAOYSA-N
SmilesC1(Cl)=CC=CC(F)=C1CCl
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MassMS-NW-8811 2-chloro-6-fluorobenzyl chloride C7H5Cl2F (Mass of molecular ion: 178)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.1 39.0 1.2 50.0 1.7 51.0 1.3 53.0 1.0 53.5 1.3 57.0 5.0 61.0 2.9 62.0 2.9 63.0 2.6 71.0 2.4 71.5 2.3 72.0 1.1 73.0 1.4 79.0 1.5 80.0 1.6 81.0 4.3 83.0 2.3 91.0 1.0 107.0 16.5 108.0 6.0 117.0 3.9 119.0 1.2 143.0 100.0 144.0 8.0 145.0 32.6 146.0 2.5 178.0 17.5 179.0 1.8 180.0 11.2 182.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H5 Cl2 F 0.05 ml : 0.5 ml CDCl3 2-chloro-6-fluorobenzyl chloride 
Assign. Shift(ppm)
A 7.228 B 7.19 C 6.996 D 4.731 J(F-19,D)=2.0HZ
Hz ppm Int.2902.10 7.262 124 2896.36 7.248 120 2894.04 7.242 330 2888.18 7.227 292 2885.86 7.221 301 2883.18 7.215 50 2880.49 7.208 359 2878.42 7.203 306 2877.69 7.201 309 2876.59 7.198 456 2869.51 7.181 155 2868.29 7.178 149 2804.69 7.018 184 2803.34 7.015 181 2796.63 6.998 180 2795.53 6.995 286 2793.82 6.991 201 2787.84 6.976 142 2786.13 6.972 150 1892.09 4.735 978 1890.26 4.730 1000
in CDCl3
liquid film
