2-Chloro-3-(trifluoromethyl)pyridine(65753-47-1) IR1
Product Name2-Chloro-3-(trifluoromethyl)pyridine
CAS65753-47-1
Molecular FormulaC6H3ClF3N
Molecular Weight181.54
InChIInChI=1S/C6H3ClF3N/c7-5-4(6(8,9)10)2-1-3-11-5/h1-3H
InChIKey RXATZPCCMYMPME-UHFFFAOYSA-N
SmilesC1(Cl)=NC=CC=C1C(F)(F)F
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MassMS-IW-2145 2-chloro-3-(trifluoromethyl)pyridine C6H3ClF3N (Mass of molecular ion: 181)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 2.1 28.0 1.0 31.0 2.8 37.0 1.5 38.0 1.9 39.0 1.6 49.0 2.2 50.0 8.2 51.0 6.6 52.0 1.4 57.0 1.5 62.0 1.1 69.0 18.0 70.0 1.4 74.0 1.0 75.0 9.1 76.0 9.0 77.0 2.1 81.0 1.1 84.0 1.0 85.0 3.1 87.0 1.3 93.0 2.0 95.0 1.0 96.0 4.5 99.0 3.2 100.0 2.3 112.0 1.8 119.0 4.6 120.0 1.9 126.0 27.9 127.0 2.7 146.0 100.0 147.0 7.1 162.0 8.6 164.0 2.9 181.0 95.7 182.0 6.7 183.0 30.9 184.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 Cl F3 N 0.056 g : 0.5 ml CDCl3 2-chloro-3-(trifluoromethyl)pyridine 
Assign. Shift(ppm)
A 8.592 B 8.046 C 7.407
Hz ppm Int.3436.52 8.599 812 3435.18 8.596 873 3431.76 8.587 885 3430.42 8.584 898 3220.46 8.059 893 3219.85 8.057 877 3218.51 8.054 943 3212.65 8.039 965 3212.16 8.038 951 3210.82 8.035 1000 2967.04 7.425 764 2966.31 7.423 764 2962.16 7.412 794 2961.43 7.411 787 2959.23 7.405 797 2958.50 7.403 773 2954.35 7.393 739 2953.74 7.391 719
in CDCl3
KBr disc
nujol mull
