5-BROMO-2-CHLOROTOLUENE(54932-72-8) MS
Product Name5-BROMO-2-CHLOROTOLUENE
CAS54932-72-8
Molecular FormulaC7H6BrCl
Molecular Weight205.48
InChIInChI=1S/C7H6BrCl/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey OZFQMHJKAODEON-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(Br)C=C1C
-
MassMS-NW-6114 5-bromo-2-chlorotoluene C7H6BrCl (Mass of molecular ion: 204)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 1.4 36.0 1.4 37.0 3.7 38.0 5.5 39.0 13.3 40.0 1.4 43.0 5.5 43.5 1.8 44.0 14.3 44.5 3.3 45.0 1.1 49.0 2.8 50.0 9.0 51.0 7.4 52.0 1.0 60.0 1.3 61.0 6.4 62.0 15.8 62.5 2.2 63.0 27.6 64.0 5.0 65.0 3.6 73.0 5.7 74.0 5.2 75.0 6.3 76.0 1.0 82.0 1.0 84.0 6.5 85.0 7.2 86.0 4.7 87.0 4.3 88.0 2.5 89.0 47.3 90.0 19.3 91.0 7.9 97.0 1.6 99.0 7.3 101.0 2.4 102.0 1.7 103.0 2.0 111.0 3.2 113.0 1.0 117.0 1.2 119.0 1.3 123.0 2.1 124.0 4.8 125.0 69.2 126.0 7.1 127.0 22.9 128.0 2.1 168.0 2.6 169.0 32.9 170.0 9.3 171.0 31.5 172.0 6.8 203.0 4.5 204.0 77.9 205.0 11.7 206.0 100.0 207.0 9.4 208.0 25.3 209.0 2.4 238.0 3.9 240.0 1.3 250.0 1.1 252.0 1.5
400 MHz in CDCl3
-
1H NMR 399.65 MHz C7 H6 Br Cl 0.05 ml : 0.5 ml CDCl3 5-bromo-2-chlorotoluene 
Assign. Shift(ppm)
A 7.328 B 7.207 C 7.153 D 2.311
Hz ppm Int.
2929.93 7.332 204 2929.57 7.331 212 2927.61 7.326 228 2927.25 7.325 228 2887.57 7.226 96 2886.96 7.224 98 2885.13 7.220 87 2884.64 7.218 82 2879.03 7.204 181 2878.54 7.203 180 2876.71 7.199 175 2876.10 7.197 176 2861.82 7.161 389 2853.27 7.140 204 923.58 2.311 1000
in CDCl3
liquid film
4880 A,200 M,liquid
