4-Chloro-2,6-diaminopyrimidine(156-83-2) MS
Product Name4-Chloro-2,6-diaminopyrimidine
CAS156-83-2
Molecular FormulaC4H5ClN4
Molecular Weight144.56
InChIInChI=1S/C4H5ClN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)
InChIKey QJIUMVUZDYPQRT-UHFFFAOYSA-N
SmilesC1(N)=NC(Cl)=CC(N)=N1
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MassMS-NW-9997 6-chloro-2,4-pyrimidinediamine C4H5ClN4 (Mass of molecular ion: 144)
Source Temperature: 170 °C Sample Temperature: 90 °C Direct, 75 eV
18.0 1.9 28.0 5.7 38.0 1.4 39.0 2.8 40.0 6.8 41.0 1.9 42.0 2.4 43.0 29.9 53.0 1.2 55.0 1.1 62.0 1.3 65.0 1.1 66.0 5.2 67.0 47.8 68.0 3.1 74.0 1.6 89.0 1.3 92.0 2.9 109.0 66.3 110.0 3.9 116.0 1.8 117.0 4.4 119.0 1.4 128.0 1.5 144.0 100.0 145.0 8.2 146.0 32.6 147.0 2.6
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C4 H5 Cl N4 0.033 g : 0.5 ml DMSO-d6 6-chloro-2,4-pyrimidinediamine 
Assign. Shift(ppm)
A *1 6.61 B *1 6.37 C 5.717
Hz ppm Int.2643.19 6.614 162 2545.41 6.370 199 2284.79 5.717 1000
in DMSO-d6
KBr disc
nujol mull
