2-Chloro-6-fluorotoluene(443-83-4) Raman
Product Name2-Chloro-6-fluorotoluene
CAS443-83-4
Molecular FormulaC7H6ClF
Molecular Weight144.57
InChIInChI=1S/C7H6ClF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3
InChIKey FNPVYRJTBXHIPB-UHFFFAOYSA-N
SmilesC1(Cl)=CC=CC(F)=C1C
-
MassMS-IW-0705 2-chloro-6-fluorotoluene C7H6ClF (Mass of molecular ion: 144)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
39.0 1.5 43.0 1.0 44.0 4.6 50.0 1.3 51.0 1.3 54.0 3.5 57.0 4.1 61.0 1.1 62.0 2.5 63.0 3.0 72.0 1.1 73.0 1.1 81.0 2.6 83.0 7.8 89.0 1.9 107.0 12.8 108.0 9.4 109.0 100.0 110.0 8.0 117.0 1.8 143.0 14.3 144.0 51.5 145.0 8.5 146.0 16.5 147.0 1.3
400 MHz in CDCl3
parameter neat
-
1H NMR 399.65 MHz C7 H6 Cl F 0.05 ml : 0.5 ml CDCl3 2-chloro-6-fluorotoluene 
Assign. Shift(ppm)
A 7.111 B 7.043 C 6.903 D 2.276
Hz ppm Int.2847.05 7.124 190 2839.23 7.105 323 2824.95 7.069 116 2819.09 7.054 119 2818.60 7.053 117 2816.77 7.049 190 2810.91 7.034 188 2808.72 7.028 99 2802.73 7.013 91 2767.58 6.926 149 2766.36 6.922 141 2758.18 6.902 248 2750.00 6.882 119 2749.15 6.879 115 911.13 2.280 994 908.69 2.274 1000
-
1H NMR 300 MHz C7 H6 Cl F neat 2-chloro-6-fluorotoluene Parameter ppm Hz
D(A) 6.717 D(B) 6.842 D(C) 6.930 D(D) 2.155 J(A,B) 7.83 J(A,C) 2.68 J(A,D) 0.06 J(A,X) 8.78 J(B,C) 7.54 J(B,D) -0.03 J(B,X) 5.90 J(C,D) 0.02 J(C,X) -0.87 J(D,X) 2.42 ALBRIKTSEN,P. & HANSEN,G. ACTA CHEM.SCAND. 26, 2511 (1972)
Hz ppm Int.2084.49 6.948 106 2081.76 6.939 121 2076.90 6.923 156 2074.13 6.914 161 2063.03 6.877 91 2057.23 6.857 75 2055.31 6.851 161 2049.64 6.832 122 2047.77 6.826 81 2041.97 6.807 81 2024.30 6.748 104 2021.58 6.739 95 2016.04 6.720 107 2013.63 6.712 94 2008.15 6.694 85 2005.47 6.685 62 647.74 2.159 1000 645.33 2.151 872
in CDCl3
liquid film
4880 A,200 M,liquid
