2-Chloro-5-nitropyridine(4548-45-2) 1H NMR
Product Name2-Chloro-5-nitropyridine
CAS4548-45-2
Molecular FormulaC5H3ClN2O2
Molecular Weight158.54
InChIInChI=1S/C5H3ClN2O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H
InChIKey BAZVFQBTJPBRTJ-UHFFFAOYSA-N
SmilesC1(Cl)=NC=C([N+]([O-])=O)C=C1
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MassMS-NW-4641 2-chloro-5-nitropyridine C5H3ClN2O2 (Mass of molecular ion: 158)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
25.0 1.0 26.0 4.6 28.0 4.2 30.0 13.5 36.0 1.5 37.0 5.4 38.0 6.0 39.0 2.3 46.0 2.1 47.0 1.9 48.0 1.1 49.0 6.1 50.0 36.9 51.0 17.1 52.0 4.7 60.0 2.3 61.0 2.6 62.0 5.0 63.0 2.2 64.0 3.0 73.0 5.8 74.0 1.2 75.0 7.5 76.0 47.3 77.0 7.3 84.0 1.7 85.0 46.9 86.0 4.1 87.0 15.2 88.0 1.1 100.0 18.0 101.0 1.1 102.0 5.8 112.0 100.0 113.0 6.2 114.0 31.6 115.0 1.9 128.0 1.2 141.0 1.1 142.0 1.1 158.0 59.4 159.0 3.9 160.0 19.7 161.0 1.3
parameter in acetone
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1H NMR 300 MHz C5 H3 Cl N2 O2 ca 7 wt% in acetone 2-chloro-5-nitropyridine 
Parameter ppm Hz
D(A) 9.196 D(B) 8.620 D(C) 7.786 J(A,B) 2.93 J(A,C) 0.64 J(B,C) 8.68 GERIG,J.T. & REINHEIMER,J.D. ORG.MAGN.RESON. 1, 239 (1969)
Hz ppm Int.2760.56 9.202 958 2760.01 9.200 970 2757.63 9.192 1000 2757.08 9.190 992 2591.87 8.640 755 2588.95 8.630 732 2583.18 8.611 810 2580.27 8.601 783 2340.34 7.801 998 2339.80 7.799 997 2331.66 7.772 932 2331.13 7.770 930
KBr disc
nujol mull
