2-(Chloromethyl)pyridine hydrochloride(6959-47-3) IR3
Product Name2-(Chloromethyl)pyridine hydrochloride
CAS6959-47-3
Molecular FormulaC6H7Cl2N
Molecular Weight164.03
InChIInChI=1S/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H
InChIKey JPMRGPPMXHGKRO-UHFFFAOYSA-N
SmilesC1(CCl)=NC=CC=C1.[H]Cl
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MassMS-NW-8693 2-(chloromethyl)pyridine hydrochloride C6H6ClN HCl (Mass of molecular ion: 127)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 5.7 18.0 26.5 26.0 2.0 27.0 2.1 28.0 1.6 35.0 1.8 36.0 13.2 37.0 2.5 38.0 6.8 39.0 12.1 40.0 1.4 41.0 1.8 45.5 1.1 49.0 1.7 50.0 5.1 51.0 11.2 52.0 6.0 53.0 2.7 61.0 1.4 62.0 2.4 63.0 6.5 64.0 8.3 65.0 35.1 66.0 4.0 73.0 1.4 75.0 1.0 78.0 20.0 79.0 4.0 80.0 4.3 90.0 1.0 91.0 6.9 92.0 58.2 93.0 6.8 99.0 1.4 100.0 1.6 108.0 8.4 109.0 4.3 126.0 1.0 127.0 100.0 128.0 7.6 129.0 32.7 130.0 2.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H6 Cl N 0.050 g : 0.5 ml CDCl3 2-(chloromethyl)pyridine hydrochloride 
Assign. Shift(ppm)
A 8.821 B 8.525 C 8.152 D 7.994 E 5.245
Hz ppm Int.794.38 8.870 83 793.63 8.862 97 792.69 8.851 112 792.06 8.844 106 788.69 8.807 98 788.00 8.799 110 787.00 8.788 127 786.25 8.780 116 773.50 8.637 57 771.94 8.620 55 765.50 8.548 124 764.00 8.531 119 757.88 8.463 116 756.13 8.443 107 733.13 8.186 162 725.63 8.103 102 725.00 8.096 100 722.31 8.066 95 720.94 8.050 79 716.63 8.002 79 715.00 7.984 104 713.31 7.965 65 708.88 7.916 55 707.75 7.903 52 469.75 5.246 1000
in CDCl3
KBr disc
liquid film
nujol mull
