2-Amino-4,6-dichloropyrimidine(56-05-3) IR2
Product Name2-Amino-4,6-dichloropyrimidine
CAS56-05-3
Molecular FormulaC4H3Cl2N3
Molecular Weight163.99
InChIInChI=1S/C4H3Cl2N3/c5-2-1-3(6)9-4(7)8-2/h1H,(H2,7,8,9)
InChIKey JPZOAVGMSDSWSW-UHFFFAOYSA-N
SmilesC1(N)=NC(Cl)=CC(Cl)=N1
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MassMS-NW-9775 2-amino-4,6-dichloropyrimidine C4H3Cl2N3 (Mass of molecular ion: 163)
Source Temperature: 130 °C Sample Temperature: 90 °C Direct, 75 eV
28.0 4.4 38.0 2.8 39.0 2.9 40.0 3.3 42.0 1.9 43.0 8.1 46.5 2.2 47.0 1.1 51.0 4.8 52.0 1.3 53.0 2.1 60.0 1.8 62.0 5.4 64.0 2.2 65.0 3.5 66.0 4.2 67.0 25.5 68.0 1.4 74.0 2.9 76.0 1.2 85.0 1.1 86.0 5.7 87.0 1.2 88.0 1.9 92.0 20.9 93.0 1.1 128.0 100.0 129.0 5.7 130.0 32.2 131.0 1.7 163.0 83.8 164.0 5.7 165.0 53.9 166.0 3.6 167.0 8.9
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H3 Cl2 N3 0.038 g : 0.5 ml DMSO-d6 2-amino-4,6-dichloropyrimidine 
Assign. Shift(ppm)
A 7.63 B 6.861
Hz ppm Int.3047.36 7.626 377 2741.94 6.861 1000
in DMSO-d6
KBr disc
nujol mull
