4-Bromo-2-chlorobenzoic acid(59748-90-2) 1H NMR
Product Name4-Bromo-2-chlorobenzoic acid
CAS59748-90-2
Molecular FormulaC7H4BrClO2
Molecular Weight235.46
InChIInChI=1S/C7H4BrClO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey JAVZWSOFJKYSDY-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(Br)C=C1Cl
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MassMS-NW-7385 4-bromo-2-chlorobenzoic acid C7H4BrClO2 (Mass of molecular ion: 234)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
37.0 5.3 38.0 2.9 39.0 1.1 45.0 3.8 49.0 3.3 50.0 10.1 51.0 2.7 53.0 2.7 55.0 3.5 56.0 1.2 61.0 2.2 62.0 1.9 63.0 7.3 64.0 2.1 69.0 2.0 72.0 1.7 73.0 8.8 74.0 29.6 75.0 34.4 76.0 3.3 77.0 1.0 84.0 5.0 85.0 2.0 86.0 1.9 91.0 2.8 92.0 1.2 99.0 5.0 101.0 2.2 103.0 4.0 104.0 5.3 105.0 1.3 108.0 1.2 108.5 1.4 109.0 6.8 109.5 1.8 110.0 14.2 111.0 6.8 112.0 5.2 113.0 1.5 143.0 1.4 145.0 1.2 153.0 2.0 154.0 3.2 155.0 2.4 156.0 3.0 189.0 17.0 190.0 2.0 191.0 21.8 192.0 1.8 193.0 5.2 206.0 2.7 208.0 3.6 217.0 67.9 218.0 5.7 219.0 88.1 220.0 7.2 221.0 21.8 222.0 1.7 234.0 78.2 235.0 6.2 236.0 100.0 237.0 8.1 238.0 24.9 239.0 2.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H4 Br Cl O2 0.036 g : 0.5 ml DMSO-d6 4-bromo-2-chlorobenzoic acid 
Assign. Shift(ppm)
A 7.851 B 7.763 C 7.668
Hz ppm Int.3138.43 7.853 925 3136.60 7.849 912 3107.42 7.776 668 3099.12 7.755 1000 3069.09 7.680 646 3067.14 7.675 587 3063.35 7.666 26 3060.79 7.659 432 3058.84 7.654 427
in CDCl3
KBr disc
nujol mull
