3-Chloro-4-fluoroaniline(367-21-5) MS
Product Name3-Chloro-4-fluoroaniline
CAS367-21-5
Molecular FormulaC6H5ClFN
Molecular Weight145.56
InChIInChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2
InChIKey YSEMCVGMNUUNRK-UHFFFAOYSA-N
SmilesC1(N)=CC=C(F)C(Cl)=C1
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MassMS-IW-9157 3-chloro-4-fluoroaniline C6H5ClFN (Mass of molecular ion: 145)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.0 28.0 3.9 31.0 3.1 36.0 1.3 37.0 1.8 38.0 2.1 39.0 2.4 41.0 2.0 44.5 1.7 50.0 1.8 51.0 1.5 52.0 3.1 54.5 5.0 55.0 1.5 56.0 2.6 57.0 7.6 61.0 2.3 62.0 3.4 63.0 6.0 64.0 1.5 65.0 1.4 67.0 1.7 69.0 1.2 72.5 6.5 73.0 1.7 73.5 2.5 74.0 1.3 80.0 1.0 81.0 4.7 82.0 6.5 83.0 34.8 84.0 3.4 89.0 2.7 90.0 6.5 91.0 2.3 93.0 1.8 98.0 1.2 108.0 2.6 109.0 7.6 110.0 13.2 111.0 1.1 117.0 6.7 118.0 9.6 119.0 2.9 120.0 3.4 125.0 1.6 144.0 2.4 145.0 100.0 146.0 7.8 147.0 31.9 148.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H5 Cl F N 0.040 g : 0.5 ml CDCl3 3-chloro-4-fluoroaniline 
Assign. Shift(ppm)
A 6.907 B 6.676 C 6.488 D 3.59
Hz ppm Int.2769.41 6.930 514 2760.62 6.908 1000 2751.71 6.886 554 2672.73 6.688 517 2669.92 6.681 564 2666.63 6.673 521 2663.82 6.666 548 2600.46 6.507 325 2597.66 6.500 339 2596.68 6.498 360 2593.87 6.491 313 2591.67 6.485 302 2588.87 6.478 308 2588.01 6.476 326 2585.08 6.469 268 1435.79 3.593 218
in CDCl3
nujol mull
