2,6-Dichlorobenzyl bromide(20443-98-5) MS
Product Name2,6-Dichlorobenzyl bromide
CAS20443-98-5
Molecular FormulaC7H5BrCl2
Molecular Weight239.92
InChIInChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey PDFGFQUSSYSWNI-UHFFFAOYSA-N
SmilesC1(Cl)=CC=CC(Cl)=C1CBr
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MassMS-NW-7264 alpha-bromo-2,6-dichlorotoluene C7H5BrCl2 (Mass of molecular ion: 238)
Source Temperature: 220 °C Sample Temperature: 190 °C Reservoir, 75 eV
37.0 1.9 38.0 2.0 39.0 4.2 43.0 2.9 43.5 1.1 44.0 3.8 49.0 1.3 50.0 3.2 51.0 2.3 61.0 5.0 61.5 4.1 62.0 9.8 62.5 1.5 63.0 12.4 73.0 5.9 74.0 1.1 75.0 2.1 79.5 5.7 80.5 3.6 84.0 1.2 85.0 1.5 86.0 2.3 87.0 3.1 88.0 1.4 89.0 13.5 90.0 1.0 97.0 2.3 99.0 2.9 101.0 1.2 123.0 11.5 124.0 5.9 125.0 4.9 126.0 2.0 133.0 2.5 135.0 1.6 159.0 100.0 160.0 8.1 161.0 62.9 162.0 5.3 163.0 10.2 238.0 4.2 240.0 6.5 242.0 2.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H5 Br Cl2 0.039 g : 0.5 ml CDCl3 alpha-bromo-2,6-dichlorotoluene 
Assign. Shift(ppm)
A 7.321 B 7.185 C 4.758
Hz ppm Int.2930.54 7.333 352 2922.61 7.313 558 2878.42 7.203 239 2870.97 7.184 197 2869.75 7.181 181 2862.30 7.163 139 1901.86 4.759 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
