3-Picolyl chloride hydrochloride(6959-48-4) IR2
Product Name3-Picolyl chloride hydrochloride
CAS6959-48-4
Molecular FormulaC6H7Cl2N
Molecular Weight164.03
InChIInChI=1S/C6H6ClN.ClH/c7-4-6-2-1-3-8-5-6;/h1-3,5H,4H2;1H
InChIKey UZGLOGCJCWBBIV-UHFFFAOYSA-N
SmilesC1(CCl)C=NC=CC=1.Cl
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MassMS-NW-6857 3-(chloromethyl)pyridine hydrochloride C6H6ClN HCl (Mass of molecular ion: 127)
Source Temperature: 140 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 2.4 26.0 1.3 28.0 1.2 35.0 3.2 36.0 27.4 37.0 2.6 38.0 8.9 39.0 16.5 40.0 1.1 45.5 1.5 50.0 1.6 51.0 2.2 52.0 1.2 61.0 1.3 62.0 2.6 63.0 7.1 64.0 4.5 65.0 34.3 66.0 2.1 73.0 1.6 91.0 1.8 92.0 100.0 93.0 7.3 99.0 1.0 126.0 1.1 127.0 43.8 128.0 3.7 129.0 14.7 130.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H6 Cl N 0.038 g : 0.5 ml DMSO-d6 3-(chloromethyl)pyridine hydrochloride 
Assign. Shift(ppm)
A 9.117 B 8.972 C 8.716 D 8.144 E 5.070
Hz ppm Int.3645.02 9.121 218 3643.92 9.118 223 3588.50 8.980 146 3583.01 8.966 149 3487.67 8.727 136 3486.21 8.724 97 3481.08 8.711 101 3479.61 8.707 146 3261.72 8.162 127 3258.79 8.155 21 3255.98 8.148 134 3253.66 8.142 131 3248.05 8.128 117 2026.25 5.071 1000
in D2O
in DMSO-d6
KBr disc
nujol mull
