2-Fluoro-5-(trifluoromethyl)aniline(535-52-4)IR
Product Name2-Fluoro-5-(trifluoromethyl)aniline
CAS535-52-4
Molecular FormulaC7H5F4N
Molecular Weight179.11
InChIInChI=1S/C7H5F4N/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H,12H2
InChIKey DRKWGMXFFCPZLW-UHFFFAOYSA-N
SmilesC1(N)=CC(C(F)(F)F)=CC=C1F
parameter in CCl4
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1H NMR 300 MHz C7 H5 F4 N 10 mol% in CCl4 2-fluoro-5-(trifluoromethyl)aniline 
Parameter ppm Hz
D(A) 6.99 D(B) 6.91 D(C) 6.93 J(A,B) 8.44 J(A,C) 0.38 J(A,X) 11.14 J(A,Y) 0.85 J(B,C) 2.12 J(B,X) 3.84 J(B,Y) -0.73 J(C,X) 7.76 J(C,Y) -0.67 J(X,Y) 0.0 D(D) 3.81 AKSNES,D. & KRONHAUG,F.H. ACTA CHEM.SCAND. 25, 1851 (1971)
Hz ppm Int.2107.40 7.025 34 2106.47 7.022 46 2099.76 6.999 40 2099.16 6.997 44 2097.87 6.993 54 2096.26 6.988 47 2095.51 6.985 47 2088.16 6.961 59 2087.47 6.958 59 2085.83 6.953 27 2084.09 6.947 66 2081.96 6.940 88 2078.93 6.930 58 2078.42 6.928 62 2074.86 6.916 157 2074.29 6.914 146 2072.19 6.907 42 2070.69 6.902 38 2070.03 6.900 45 2068.18 6.894 49 2067.52 6.892 44 2065.21 6.884 18 2064.61 6.882 17 1143.00 3.810 1000
