2,3-Dichloropyridine(2402-77-9) MS
Product Name2,3-Dichloropyridine
CAS2402-77-9
Molecular FormulaC5H3Cl2N
Molecular Weight147.99
InChIInChI=1S/C5H3Cl2N/c6-4-2-1-3-8-5(4)7/h1-3H
InChIKey MAKFMOSBBNKPMS-UHFFFAOYSA-N
SmilesC1(Cl)=NC=CC=C1Cl
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MassMS-NW-6373 2,3-dichloropyridine C5H3Cl2N (Mass of molecular ion: 147)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 3.7 26.0 3.6 27.0 1.3 28.0 1.8 35.0 1.8 36.0 3.6 37.0 3.3 38.0 2.8 39.0 1.8 44.0 1.2 47.0 2.1 48.0 1.1 49.0 5.9 50.0 15.7 51.0 13.2 52.0 2.8 55.5 1.7 60.0 3.3 61.0 2.4 62.0 4.1 64.0 1.2 72.0 1.0 73.0 1.0 73.5 1.4 74.0 1.1 74.5 1.0 75.0 5.1 76.0 33.6 77.0 2.8 84.0 4.4 85.0 12.5 86.0 4.3 87.0 4.6 88.0 1.2 94.0 1.4 96.0 1.0 107.0 1.0 110.0 1.5 112.0 90.3 113.0 5.8 114.0 29.4 115.0 1.9 147.0 100.0 148.0 6.4 149.0 63.7 150.0 4.3 151.0 10.4
90 MHz in CDCl3
in CDCl3
parameter in DMSO-d6
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1H NMR 89.56 MHz C5 H3 Cl2 N 0.043 g : 0.5 ml CDCl3 2,3-dichloropyridine 
Assign. Shift(ppm)
A 8.31 B 7.78 C 7.23 J(A,B)=1.8HZ. J(A,C)=4.5HZ. J(B,C)=7.9HZ.
Hz ppm Int.753.75 8.417 30 753.38 8.413 32 746.25 8.333 168 745.81 8.328 167 742.56 8.292 175 736.81 8.228 41 735.75 8.216 33 705.75 7.881 32 703.94 7.860 38 702.06 7.839 756 700.31 7.820 719 694.19 7.752 1000 692.44 7.732 935 690.56 7.711 38 690.44 7.710 38 652.31 7.284 583 647.75 7.233 332 644.44 7.196 271 642.00 7.169 39 639.81 7.144 247
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1H NMR 300 MHz C5 H3 Cl2 N 30 % in DMSO 2,3-dichloropyridine Parameter ppm Hz
D(A) 8.57 D(B) 7.61 D(C) 8.22 J(A,B) 4.8 J(A,C) 1.7 J(B,C) 7.3 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962)
Hz ppm Int.2574.27 8.581 925 2572.59 8.575 966 2569.48 8.565 970 2567.79 8.559 981 2470.56 8.235 919 2468.89 8.230 900 2463.26 8.211 1000 2461.59 8.205 968 2288.95 7.630 933 2284.16 7.614 934 2281.67 7.606 895 2276.86 7.590 835
in CDCl3
KBr disk
Nujol
