2-Chloro-4-hydroxybenzoic acid(56363-84-9) MS
Product Name2-Chloro-4-hydroxybenzoic acid
CAS56363-84-9
Molecular FormulaC7H5ClO3
Molecular Weight172.57
InChIInChI=1S/C7H5ClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)
InChIKey WIPYZRZPNMUSER-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(O)C=C1Cl
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MassMS-IW-3862 2-chloro-4-hydroxybenzoic acid C7H5ClO3 (Mass of molecular ion: 172)
Source Temperature: 160 °C Sample Temperature: 150 °C Direct, 75 eV
17.0 1.0 18.0 4.5 28.0 1.4 36.0 1.0 37.0 2.4 38.0 2.6 39.0 3.7 45.0 1.8 49.0 1.4 50.0 2.0 51.0 2.7 52.0 1.5 53.0 4.0 61.0 3.2 62.0 5.6 63.0 13.1 64.0 3.2 65.0 2.4 69.0 1.0 72.0 5.3 73.0 8.1 74.0 2.0 75.0 2.6 77.5 1.3 80.0 1.2 81.0 1.3 92.0 2.1 99.0 12.8 100.0 1.0 101.0 4.1 121.0 1.3 126.0 1.2 127.0 10.3 128.0 1.8 129.0 3.4 138.0 1.0 144.0 1.2 155.0 100.0 156.0 8.0 157.0 33.1 158.0 2.6 172.0 71.5 173.0 6.4 174.0 23.5 175.0 2.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H5 Cl O3 0.031 g : 0.5 ml DMSO-d6 2-chloro-4-hydroxybenzoic acid 
Assign. Shift(ppm)
B 7.779 C 6.897 D 6.807 J(B,D) = 8.6 HZ J(C,D) = 2.4 HZ
Hz ppm Int.3113.65 7.791 859 3109.07 7.780 22 3108.15 7.778 29 3105.04 7.770 918 2757.75 6.901 872 2755.37 6.895 1000 2726.07 6.822 515 2723.69 6.816 446 2717.46 6.800 497 2715.08 6.794 458
in DMSO-d6
KBr disc
nujol mull
