5-Bromopyrimidine(4595-59-9) IR1
Product Name5-Bromopyrimidine
CAS4595-59-9
Molecular FormulaC4H3BrN2
Molecular Weight158.98
InChIInChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H
InChIKey GYCPLYCTMDTEPU-UHFFFAOYSA-N
SmilesC1=NC=C(Br)C=N1
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MassMS-IW-0698 5-bromopyrimidine C4H3BrN2 (Mass of molecular ion: 158)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
25.0 2.0 26.0 1.2 28.0 2.3 37.0 1.0 38.0 1.7 50.0 1.1 51.0 10.4 52.0 18.8 53.0 1.3 65.5 1.2 66.5 1.2 79.0 1.1 104.0 23.6 105.0 1.0 106.0 23.4 130.0 1.6 131.0 16.7 132.0 2.2 133.0 16.0 158.0 100.0 159.0 5.9 160.0 97.7 161.0 5.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H3 Br N2 0.039 g : 0.5 ml CDCl3 5-bromopyrimidine 
Assign. Shift(ppm)
A 9.148 B 8.833
Hz ppm Int.3656.31 9.149 297 3530.27 8.834 1000
in CDCl3
KBr disc
nujol mull
