2-Chloro-4-pyridinecarboxylic acid(6313-54-8) IR1
Product Name2-Chloro-4-pyridinecarboxylic acid
CAS6313-54-8
Molecular FormulaC6H4ClNO2
Molecular Weight157.55
InChIInChI=1S/C6H4ClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
InChIKey QXCOHSRHFCHCHN-UHFFFAOYSA-N
SmilesC1(Cl)=NC=CC(C(O)=O)=C1
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MassMS-IW-6990 2-chloro-4-pyridinecarboxylic acid C6H4ClNO2 (Mass of molecular ion: 157)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 4.2 28.0 1.5 38.0 1.1 39.0 1.6 45.0 2.2 49.0 1.3 50.0 7.5 51.0 7.4 52.0 1.5 56.0 1.8 66.0 3.7 75.0 1.3 76.0 4.9 77.0 1.6 78.0 4.5 85.0 5.4 86.0 1.0 87.0 1.9 94.0 1.7 104.0 2.1 112.0 12.0 113.0 1.0 114.0 3.9 122.0 29.9 123.0 2.2 128.0 1.0 139.0 2.6 140.0 16.0 141.0 1.9 142.0 5.2 157.0 100.0 158.0 7.3 159.0 32.5 160.0 2.4
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H4 Cl N O2 0.039 g : 0.5 ml DMSO-d6 2-chloro-4-pyridinecarboxylic acid 
Assign. Shift(ppm)
A 14. B 8.631 C 7.85 D 7.84
Hz ppm Int.3451.90 8.638 381 3450.93 8.635 338 3447.02 8.626 366 3446.29 8.624 335 3138.67 7.854 254 3137.70 7.852 793 3137.21 7.850 740 3136.47 7.849 1000 3135.50 7.846 210 3131.59 7.836 410 3130.37 7.833 268
in DMSO-d6
KBr disc
nujol mull
