3-Chloro-5-(trifluoromethyl)pyridin-2-amine(79456-26-1) 1H NMR
Product Name3-Chloro-5-(trifluoromethyl)pyridin-2-amine
CAS79456-26-1
Molecular FormulaC6H4ClF3N2
Molecular Weight196.56
InChIInChI=1S/C6H4ClF3N2/c7-4-1-3(6(8,9)10)2-12-5(4)11/h1-2H,(H2,11,12)
InChIKey WXNPZQIRDCDLJD-UHFFFAOYSA-N
SmilesC1(N)=NC=C(C(F)(F)F)C=C1Cl
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MassMS-IW-2630 3-chloro-5-trifluoromethyl-2-pyridylamine C6H4ClF3N2 (Mass of molecular ion: 196)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
28.0 10.8 31.0 3.1 36.0 1.2 37.0 4.5 38.0 3.8 39.0 1.6 40.0 1.4 42.0 1.1 43.0 1.2 47.0 1.1 48.0 1.8 49.0 1.6 50.0 4.1 51.0 2.0 52.0 5.0 53.0 2.3 56.0 1.8 57.0 4.4 60.0 1.0 62.0 2.3 63.0 3.2 64.0 7.2 65.0 7.8 66.0 2.1 68.0 1.1 69.0 9.5 70.0 1.2 71.0 2.7 72.0 1.9 73.0 4.0 74.0 2.2 75.0 7.6 76.0 1.9 82.0 2.0 83.0 1.0 84.0 2.1 85.0 1.3 86.0 1.0 87.0 3.1 88.0 1.9 89.0 3.4 90.0 2.1 91.0 4.6 92.0 2.4 93.0 1.8 94.0 1.6 98.0 2.8 99.0 1.8 100.0 2.1 106.0 1.7 107.0 7.3 113.0 1.6 114.0 14.8 115.0 2.1 119.0 4.0 121.0 1.7 122.0 1.9 123.0 1.5 132.0 2.2 133.0 2.1 134.0 5.8 141.0 48.2 142.0 4.1 143.0 1.2 146.0 3.0 148.0 2.4 149.0 2.7 150.0 6.9 151.0 1.2 152.0 2.1 157.0 1.0 161.0 26.3 162.0 2.0 168.0 2.8 169.0 23.9 170.0 2.3 171.0 7.8 175.0 2.5 177.0 17.7 178.0 1.3 179.0 5.4 196.0 100.0 197.0 7.8 198.0 32.9 199.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H4 Cl F3 N2 0.042 g : 0.5 ml CDCl3 3-chloro-5-trifluoromethyl-2-pyridylamine 
Assign. Shift(ppm)
A 8.24 B 7.700 C 5.61
Hz ppm Int.3292.36 8.239 590 3078.37 7.703 1000 3076.54 7.699 985 2283.81 5.715 21 2283.08 5.713 22 2282.10 5.711 23 2281.86 5.710 23 2281.25 5.709 23 2242.68 5.612 326 2208.13 5.526 26 2207.76 5.525 25 2206.42 5.521 23 2205.44 5.519 22 2205.08 5.518 22
in CDCl3
KBr disc
nujol mull
