2,6-BIS(CHLOROMETHYL)PYRIDINE(3099-28-3) MS
Product Name2,6-BIS(CHLOROMETHYL)PYRIDINE
CAS3099-28-3
Molecular FormulaC7H7Cl2N
Molecular Weight176.04
InChIInChI=1S/C7H7Cl2N/c8-4-6-2-1-3-7(5-9)10-6/h1-3H,4-5H2
InChIKey IWQNFYRJSVJWQA-UHFFFAOYSA-N
SmilesC1(CCl)=NC(CCl)=CC=C1
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MassMS-IW-5458 2,6-bis(chloromethyl)pyridine C7H7Cl2N (Mass of molecular ion: 175)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.2 27.0 2.2 28.0 1.7 36.0 1.3 37.0 2.1 38.0 5.9 39.0 15.4 40.0 1.5 41.0 1.9 49.0 3.8 50.0 4.1 51.0 9.8 51.5 2.7 52.0 5.5 53.0 1.4 61.0 1.9 62.0 3.5 63.0 10.9 64.0 8.2 65.0 8.4 66.0 1.2 69.5 4.7 70.5 1.5 73.0 3.3 75.0 3.0 76.0 2.4 77.0 35.1 78.0 9.7 79.0 1.3 90.0 12.9 91.0 4.1 99.0 4.4 100.0 5.7 101.0 1.7 102.0 4.2 103.0 1.6 104.0 47.7 105.0 14.0 106.0 1.0 112.0 1.7 113.0 6.0 114.0 1.8 115.0 1.9 126.0 3.2 128.0 1.0 139.0 34.7 140.0 69.1 141.0 16.7 142.0 22.3 143.0 1.8 175.0 100.0 176.0 8.7 177.0 64.9 178.0 5.4 179.0 10.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C7 H7 Cl2 N 0.053 g : 0.5 ml CDCl3 2,6-bis(chloromethyl)pyridine 
Assign. Shift(ppm)
A 7.759 B 7.434 C 4.663
Hz ppm Int.3109.50 7.781 68 3101.68 7.761 129 3093.99 7.742 87 2974.98 7.444 226 2967.16 7.425 204 1863.65 4.664 1000
in CDCl3
KBr disc
nujol mull
