5-Fluoro-2-methylaniline(367-29-3) IR2
Product Name5-Fluoro-2-methylaniline
CAS367-29-3
Molecular FormulaC7H8FN
Molecular Weight125.14
InChIInChI=1S/C7H8FN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
InChIKey JLCDTNNLXUMYFQ-UHFFFAOYSA-N
SmilesC1(N)=CC(F)=CC=C1C
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MassMS-NW-6619 5-fluoro-o-toluidine C7H8FN (Mass of molecular ion: 125)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 1.8 28.0 4.3 30.0 2.6 31.0 1.1 38.0 1.4 39.0 2.6 42.0 1.2 50.0 3.1 51.0 6.2 51.5 1.1 52.0 3.5 52.5 2.4 53.0 1.1 57.0 3.4 61.0 1.1 62.0 2.7 62.5 2.4 63.0 1.9 69.0 1.0 70.0 2.4 71.0 1.4 74.0 1.1 75.0 2.3 76.0 1.5 77.0 8.1 78.0 2.7 81.0 1.2 83.0 1.9 95.0 5.2 96.0 4.5 97.0 10.5 98.0 3.0 104.0 2.5 106.0 1.8 107.0 6.9 108.0 8.0 109.0 4.1 122.0 2.8 124.0 100.0 125.0 89.8 126.0 7.3
90 MHz in CDCl3
parameter in CCl4
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1H NMR 89.56 MHz C7 H8 F N 0.030 g : 0.5 ml CDCl3 5-fluoro-o-toluidine 
Assign. Shift(ppm)
A 6.93 B 6.38 C 6.36 D 3.61 E 2.093
Hz ppm Int.629.75 7.032 62 629.25 7.027 60 623.31 6.960 67 622.63 6.953 64 620.44 6.928 108 614.69 6.864 73 614.00 6.856 93 578.06 6.455 133 576.00 6.432 143 573.50 6.404 134 571.81 6.385 162 569.38 6.358 148 565.38 6.313 112 562.94 6.286 237 323.00 3.607 278 187.44 2.093 1000
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1H NMR 300 MHz C7 H8 F N 10 mol% in CCl4 5-fluoro-o-toluidine Parameter ppm Hz
D(A) 6.83 D(B) 6.25 D(C) 6.19 D(D) 2.02 J(A,B) 8.21 J(A,C) 0.29 J(A,D) -0.74 J(A,X) 6.38 J(B,C) 2.64 J(B,D) 0.31 J(B,X) 8.34 J(C,D) 0.43 J(C,X) 10.15 J(D,X) 0.0 D(E) 3.50 AKSNES,D. &.KRONHAUG,F.H. ACTA CHEM.SCAND. 25, 1871 (1971)
Hz ppm Int.2056.19 6.854 68 2050.22 6.834 74 2049.59 6.832 81 2048.51 6.828 83 2042.13 6.807 72 2041.41 6.805 68 1884.59 6.282 51 1881.99 6.273 67 1876.37 6.255 97 1873.72 6.246 119 1868.15 6.227 58 1865.41 6.218 66 1863.34 6.211 113 1860.69 6.202 80 1853.19 6.177 100 1850.63 6.169 80 1049.99 3.500 1000 605.98 2.020 278
in CDCl3
KBr disc
nujol mull
