4-Fluoronitrobenzene(350-46-9) IR1
Product Name4-Fluoronitrobenzene
CAS350-46-9
Molecular FormulaC6H4FNO2
Molecular Weight141.1
InChIInChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChIKey WFQDTOYDVUWQMS-UHFFFAOYSA-N
SmilesC1(F)=CC=C([N+]([O-])=O)C=C1
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MassMS-NW-1000 p-fluoronitrobenzene C6H4FNO2 (Mass of molecular ion: 141)
Source Temperature: 250 °C Sample Temperature: 130 °C Reservoir, 75 eV
18.0 1.4 28.0 5.1 30.0 12.9 31.0 3.0 37.0 2.7 38.0 2.5 39.0 2.4 45.0 1.1 49.0 1.7 50.0 12.3 51.0 6.9 56.0 1.4 57.0 8.8 61.0 2.4 62.0 2.2 63.0 2.7 68.0 5.4 69.0 9.8 73.0 1.7 74.0 8.4 75.0 55.1 76.0 4.6 81.0 1.3 82.0 1.3 83.0 22.5 84.0 1.5 92.0 1.2 93.0 1.9 94.0 5.9 95.0 100.0 96.0 6.7 111.0 30.1 112.0 1.9 125.0 3.9 141.0 86.0 142.0 6.1
parameter neat
90 MHz in CDCl3
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1H NMR 300 MHz C6 H4 F N O2 neat p-fluoronitrobenzene 
Parameter ppm Hz
D(A) 8.26 D(B) 7.24 D(X) 9.50 J(A,A') 2.8 J(A,B) 9.2 J(A,B') 0.3 J(A,X) 4.9 J(A',B) 0.3 J(A',B') 9.2 J(A',X) 4.9 J(B,B') 2.8 J(B,X) 8.2 J(B',X) 8.2 DISCHLER,B. Z.NATURFORSCH. 20 A, 888 (1965) F-19 REFERENCE : FLUOROBENZENE, SOLVENT : CCL4, SUHR,H. BER.BUNSENGES. PHYS.CHEM. 68, 169 (1964)
Hz ppm Int.2488.58 8.295 90 2485.21 8.284 861 2483.01 8.277 422 2481.71 8.272 401 2480.26 8.268 397 2478.89 8.263 437 2478.06 8.260 420 2475.83 8.253 937 2473.70 8.246 274 2472.44 8.241 170 2470.87 8.236 1000 2468.13 8.227 135 2184.08 7.280 97 2180.72 7.269 913 2178.50 7.262 294 2173.59 7.245 493 2172.59 7.242 996 2171.37 7.238 939 2169.72 7.232 292 2168.00 7.227 113 2164.63 7.215 475 2163.16 7.211 761 2160.35 7.201 132
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1H NMR 89.56 MHz C6 H4 F N O2 0.02 ml : 0.5 ml CDCl3 p-fluoronitrobenzene Assign. Shift(ppm)
A 8.291 B 7.238
Hz ppm Int.748.63 8.359 706 746.25 8.333 335 743.88 8.306 725 741.56 8.281 503 739.31 8.255 814 736.88 8.228 337 734.69 8.204 733 654.94 7.313 867 652.56 7.287 328 651.50 7.275 243 650.50 7.264 243 647.19 7.227 1000 645.56 7.209 786 640.13 7.148 283 637.94 7.124 616
in CDCl3
liquid film
4880 A,200 M,liquid
REACTION WITH TERT-BUTYL-MGCL
