2,4-Dinitrofluorobenzene(70-34-8) IR3
Product Name2,4-Dinitrofluorobenzene
CAS70-34-8
Molecular FormulaC6H3FN2O4
Molecular Weight186.1
InChIInChI=1S/C6H3FN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChIKey LOTKRQAVGJMPNV-UHFFFAOYSA-N
SmilesC1(F)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
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MassMS-NW-1314 1-fluoro-2,4-dinitrobenzene C6H3FN2O4 (Mass of molecular ion: 186)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 2.6 28.0 6.4 29.0 1.0 30.0 100.0 31.0 5.8 32.0 1.0 33.0 1.0 37.0 2.9 38.0 2.6 39.0 1.1 44.0 2.0 45.0 1.1 46.0 4.4 49.0 1.1 50.0 21.8 51.0 3.7 53.0 1.6 56.0 3.8 57.0 5.7 61.0 4.1 62.0 4.4 63.0 10.3 64.0 1.4 68.0 19.3 69.0 3.9 70.0 2.2 73.0 2.9 74.0 13.4 75.0 8.0 76.0 5.9 79.0 2.4 81.0 10.0 82.0 22.4 83.0 1.6 92.0 4.1 93.0 38.0 94.0 88.4 95.0 8.7 96.0 1.4 107.0 7.8 108.0 1.4 109.0 1.0 110.0 11.8 111.0 1.0 124.0 1.4 140.0 7.8 156.0 3.5 170.0 4.0 186.0 81.1 187.0 6.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H3 F N2 O4 0.04 ml : 0.5 ml CDCl3 1-fluoro-2,4-dinitrobenzene 
Assign. Shift(ppm)
A 8.983 B 8.578 C 7.589
Hz ppm Int.811.88 9.066 29 809.25 9.036 388 806.44 9.005 448 802.81 8.964 382 800.06 8.934 443 776.38 8.669 377 773.56 8.638 344 772.69 8.628 414 769.81 8.596 325 767.25 8.567 457 764.38 8.535 431 763.56 8.526 478 760.69 8.494 394 688.63 7.690 594 684.69 7.646 24 683.00 7.627 23 679.13 7.583 1000 669.94 7.481 478
in CDCl3
KBr disc
liquid film
nujol mull
