2-Chloro-4-fluorotoluene(452-73-3) Raman
Product Name2-Chloro-4-fluorotoluene
CAS452-73-3
Molecular FormulaC7H6ClF
Molecular Weight144.57
InChIInChI=1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChIKey CSARJIQZOSVYHA-UHFFFAOYSA-N
SmilesC1(C)=CC=C(F)C=C1Cl
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MassMS2015-05135CW 2-chloro-4-fluorotoluene C7H6ClF (Mass of molecular ion: 144)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
39.0 1.3 44.0 2.5 50.0 1.5 51.0 1.2 54.0 2.2 57.0 4.0 61.0 1.4 62.0 2.5 63.0 3.0 72.0 1.0 73.0 1.0 81.0 3.7 83.0 8.0 89.0 1.6 107.0 15.7 108.0 9.9 109.0 100.0 110.0 7.5 117.0 2.4 143.0 23.6 144.0 45.5 145.0 10.6 146.0 14.4 147.0 1.1
in DMSO-d6
400 MHz in CDCl3
parameter neat
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1H NMR 399.65 MHz C7 H6 Cl F 0.05 ml : 0.5 ml CDCl3 2-chloro-4-fluorotoluene 
Assign. Shift(ppm)
A 7.111 B 7.043 C 6.831 D 2.287
Hz ppm Int.2850.22 7.132 127 2849.85 7.131 137 2844.12 7.117 135 2843.75 7.116 145 2842.90 7.114 117 2841.80 7.111 156 2841.31 7.110 163 2835.69 7.096 143 2835.21 7.095 156 2820.56 7.058 204 2817.87 7.051 212 2812.01 7.037 202 2809.33 7.030 212 2739.62 6.856 124 2736.94 6.849 118 2731.45 6.835 214 2728.76 6.828 201 2723.02 6.814 108 2720.34 6.807 103 914.18 2.288 1000 913.82 2.287 948 913.33 2.286 853
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1H NMR 300 MHz C7 H6 Cl F neat 2-chloro-4-fluorotoluene Parameter ppm Hz
D(A) 6.863 D(B) 6.670 D(C) 6.908 D(D) 2.151 J(A,B) 2.73 J(A,C) 0.25 J(A,D) 0.41 J(A,X) 8.39 J(B,C) 8.80 J(B,D) 0.39 J(B,X) 8.00 J(C,D) -0.75 J(C,X) 5.77 J(D,X) 1.28 ALBRIKTSEN,P. & HANSEN,G. ACTA CHEM.SCAND. 26, 2511 (1972)
Hz ppm Int.2080.29 6.934 87 2079.67 6.932 87 2074.45 6.915 87 2073.55 6.912 102 2071.50 6.905 118 2070.88 6.903 115 2064.68 6.882 222 2061.78 6.873 156 2056.06 6.854 143 2053.39 6.845 147 2010.42 6.701 87 2007.75 6.692 80 2001.90 6.673 105 2000.20 6.667 83 1999.22 6.664 98 1994.18 6.647 64 1991.42 6.638 64 645.55 2.152 1000
in DMSO-d6
in CDCl3
liquid film
