4-Bromo-2-chlorophenol(3964-56-5) IR1
Product Name4-Bromo-2-chlorophenol
CAS3964-56-5
Molecular FormulaC6H4BrClO
Molecular Weight207.45
InChIInChI=1S/C6H4BrClO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
InChIKey VIBJPUXLAKVICD-UHFFFAOYSA-N
SmilesC1(O)=CC=C(Br)C=C1Cl
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MassMS-IW-9719 4-bromo-2-chlorophenol C6H4BrClO (Mass of molecular ion: 206)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 1.2 36.0 1.5 37.0 4.4 38.0 4.4 39.0 2.8 48.0 1.1 49.0 4.4 50.0 3.3 53.0 5.9 60.0 1.3 61.0 5.8 62.0 10.2 63.0 46.5 64.0 5.9 71.0 1.8 72.0 2.8 73.0 7.2 74.0 3.1 75.0 3.0 91.0 6.7 92.0 1.2 97.0 1.5 98.0 1.7 99.0 14.6 100.0 1.4 101.0 4.5 103.0 3.8 104.0 4.8 105.0 1.3 117.0 1.4 119.0 1.3 126.0 3.2 127.0 7.9 128.0 1.7 129.0 3.0 142.0 9.9 143.0 1.7 144.0 9.6 145.0 1.3 170.0 7.9 172.0 7.6 177.0 1.6 179.0 2.1 206.0 77.3 207.0 5.7 208.0 100.0 209.0 6.8 210.0 24.2 211.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H4 Br Cl O 0.038 g : 0.5 ml CDCl3 4-bromo-2-chlorophenol 
Assign. Shift(ppm)
A 7.457 B 7.283 C 6.902 D 5.54
Hz ppm Int.2981.32 7.460 931 2979.00 7.455 1000 2975.71 7.446 25 2916.38 7.298 525 2914.06 7.292 476 2911.38 7.285 24 2911.01 7.284 25 2910.40 7.283 25 2907.71 7.276 543 2905.27 7.270 512 2762.82 6.914 964 2754.15 6.892 894 2213.13 5.538 459
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
