4-Fluoro-3-(trifluoromethyl)aniline(2357-47-3) MS
Product Name4-Fluoro-3-(trifluoromethyl)aniline
CAS2357-47-3
Molecular FormulaC7H5F4N
Molecular Weight179.11
InChIInChI=1S/C7H5F4N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
InChIKey PGFQDLOMDIBAPY-UHFFFAOYSA-N
SmilesC1(N)=CC=C(F)C(C(F)(F)F)=C1
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MassMS-NW-6053 4-fluoro-3-(trifluoromethyl)aniline C7H5F4N (Mass of molecular ion: 179)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
28.0 3.4 31.0 2.5 38.0 1.1 39.0 1.3 41.0 1.6 50.0 1.1 51.0 1.3 52.0 2.1 56.0 1.9 57.0 4.8 61.0 1.4 62.0 2.0 63.0 4.6 64.0 1.1 64.5 1.1 65.0 1.0 69.0 2.7 75.0 2.8 79.5 1.0 80.0 2.6 81.0 4.5 82.0 2.7 83.0 10.0 84.0 1.2 88.0 1.5 89.0 1.0 89.5 2.9 90.0 1.7 93.0 1.0 94.0 1.0 101.0 6.3 102.0 2.0 108.0 1.4 109.0 3.6 110.0 1.7 113.0 2.4 120.0 1.2 129.0 12.9 130.0 1.1 131.0 1.4 132.0 27.2 133.0 3.4 138.0 1.4 139.0 1.2 140.0 3.2 143.0 1.0 151.0 5.2 152.0 2.1 158.0 5.9 159.0 3.8 160.0 24.8 161.0 2.3 163.0 2.3 178.0 6.1 179.0 100.0 180.0 8.4
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H5 F4 N 0.05 ml : 0.5 ml CDCl3 4-fluoro-3-(trifluoromethyl)aniline 
Assign. Shift(ppm)
A 6.93 B 6.80 C 6.73 D 3.65
Hz ppm Int.631.56 7.052 117 623.00 6.957 311 612.56 6.840 491 610.06 6.812 367 609.56 6.807 380 606.44 6.772 489 605.75 6.764 481 602.25 6.725 163 601.63 6.718 164 598.69 6.685 111 598.06 6.678 118 597.31 6.670 122 594.44 6.638 74 327.19 3.654 1000
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1H NMR 399.65 MHz C7 H5 F4 N 0.05 ml : 0.5 ml CDCl3 4-fluoro-3-(trifluoromethyl)aniline Assign. Shift(ppm)
A 6.941 B 6.818 C 6.742 D 3.72 90MHZ : HSP-05-161
Hz ppm Int.2783.69 6.966 601 2774.41 6.943 1000 2769.17 6.929 89 2764.77 6.918 720 2740.36 6.857 31 2729.13 6.829 747 2726.20 6.822 894 2723.39 6.815 769 2720.46 6.808 860 2713.62 6.790 40 2713.13 6.789 40 2710.21 6.782 39 2709.96 6.781 39 2709.47 6.780 39 2709.23 6.780 39 2702.03 6.761 467 2701.42 6.760 524 2698.00 6.751 717 2697.39 6.750 670 2695.07 6.744 449 2694.46 6.743 481 2693.85 6.741 430 2693.24 6.739 485 2692.63 6.738 475 2689.21 6.729 584 2688.60 6.728 543 2687.01 6.724 227 2686.28 6.722 333 2685.67 6.721 351 1486.82 3.721 632
in CDCl3
liquid film
