4-Hydroxy-6-(trifluoromethyl)pyrimidine(1546-78-7) IR2
Product Name4-Hydroxy-6-(trifluoromethyl)pyrimidine
CAS1546-78-7
Molecular FormulaC5H3F3N2O
Molecular Weight164.09
InChIInChI=1S/C5H3F3N2O/c6-5(7,8)3-1-4(11)10-2-9-3/h1-2H,(H,9,10,11)
InChIKey LVOYSBZJJWPUBD-UHFFFAOYSA-N
SmilesC1=NC(C(F)(F)F)=CC(=O)N1
-
MassMS-IW-8188 6-trifluoromethyl-4-pyrimidinol C5H3F3N2O (Mass of molecular ion: 164)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.9 28.0 20.6 31.0 1.4 39.0 1.4 40.0 2.0 42.0 1.9 52.0 1.4 58.0 1.0 67.0 1.9 68.0 15.1 69.0 5.4 75.0 2.1 86.0 1.5 89.0 1.1 90.0 1.1 91.0 1.1 95.0 1.8 108.0 1.8 117.0 3.3 136.0 20.5 137.0 2.0 145.0 4.1 163.0 1.0 164.0 100.0 165.0 9.0
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C5 H3 F3 N2 O 0.038 g : 0.5 ml DMSO-d6 6-trifluoromethyl-4-pyrimidinol 
Assign. Shift(ppm)
A 13.2 B 8.405 C 6.866
Hz ppm Int.5265.82 13.177 21 3359.11 8.406 824 2744.13 6.867 1000
in DMSO-d6
KBr disc
nujol mull
