2-Bromo-4-chlorophenol(695-96-5) MS
Product Name2-Bromo-4-chlorophenol
CAS695-96-5
Molecular FormulaC6H4BrClO
Molecular Weight207.45
InChIInChI=1S/C6H4BrClO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H
InChIKey ZIYRDJLAJYTELF-UHFFFAOYSA-N
SmilesC1(O)=CC=C(Cl)C=C1Br
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MassMS-NW-7114 2-bromo-4-chlorophenol C6H4BrClO (Mass of molecular ion: 206)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
17.0 1.1 18.0 5.0 26.0 1.0 28.0 4.5 29.0 1.3 31.0 1.8 36.0 1.5 37.0 6.1 38.0 5.5 39.0 3.7 48.0 1.4 49.0 5.2 50.0 3.5 53.0 7.7 60.0 1.7 61.0 6.9 62.0 11.7 63.0 41.8 64.0 5.2 66.0 1.3 71.0 1.8 72.0 3.6 73.0 9.2 74.0 3.3 75.0 3.4 85.0 2.3 86.0 2.3 91.0 1.8 92.0 1.6 97.0 1.9 98.0 25.5 99.0 24.4 100.0 9.8 101.0 8.3 103.0 3.1 104.0 4.1 105.0 1.2 117.0 1.2 119.0 1.3 126.0 9.7 127.0 6.7 128.0 4.2 129.0 2.5 143.0 1.4 170.0 1.2 172.0 1.1 177.0 1.8 179.0 2.4 206.0 75.2 207.0 5.7 208.0 100.0 209.0 6.9 210.0 24.0 211.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H4 Br Cl O 0.030 g : 0.5 ml CDCl3 2-bromo-4-chlorophenol 
Assign. Shift(ppm)
A 7.457 B 7.189 C 6.954 D 5.49 J(A,B)=2.4HZ J(B,C)=8.7HZ
Hz ppm Int.2981.57 7.461 790 2979.13 7.455 820 2976.56 7.448 28 2879.03 7.204 321 2876.59 7.198 303 2870.24 7.182 384 2867.80 7.176 366 2783.20 6.965 822 2776.86 6.949 27 2774.54 6.943 698 2192.02 5.485 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
