3-Nitro-1-(trifluoromethyl)benzene

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 3-Nitro-1-(trifluoromethyl)benzene (5) as a yellow liquid


 31. 3-Nitro-1-(trifluoromethyl)benzene (5) has the following physical and spectroscopic data:

Rf = 0.66 (hexane);  


¹H NMR (400 MHz, CDCl₃) δ: 7.74 (t, J = 8.0 Hz, 1H, 7.98 (d, J = 7.8 Hz, 1H), 8.45 (d, J = 8.4 Hz, 1H), 8.52 (s, 1H);

¹⁹F NMR(376 MHz, CDCl₃, C₆F₆) δ: 66.05 (3 F, s);  

¹³C NMR (101 MHz, CDCl₃) δ: 121.02 (q, J = 4.0 Hz), 122.98 (q, J = 272.9 Hz), 126.82, 130.48, 131.28 (q, J = 3.5 Hz), 132.48 (q, J = 34.3 Hz);

MS (EI) m/z (%): 191 (M⁺, 28), 172 (12), 145 (100), 125 (22), 95 (34), 75 (33), 69 (10);


Anal. calcd. for C₇H₄F₃NO₂: C, 43.99; H, 2.11; N, 7.33; F, 29.82; found: C, 43.94; H, 2.11; N, 7.27;F, 29.62.

 IR (Neat): 3098.9, 1625.3, 1537.1, 1487.3, 1445.7, 1358.1, 1319.3, 1281.1, 1173.5, 1128.5, 1108.5, 1065.7, 909.8, 882.9, 812.7, 784.5, 739.6, 697.6 cm^-1;

 3-Nitro-1-(trifluoromethyl)benzene: Toluene, α, α, α-trifluoro-m-nitro-; (5) (98-46-4)

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