4-Chloro-2-fluoronitrobenzene(700-37-8) MS
Product Name4-Chloro-2-fluoronitrobenzene
CAS700-37-8
Molecular FormulaC6H3ClFNO2
Molecular Weight175.54
InChIInChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H
InChIKey PTCPUGKKWNMITF-UHFFFAOYSA-N
SmilesC1([N+]([O-])=O)=CC=C(Cl)C=C1F
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MassMS-IW-3629 4-chloro-2-fluoro-1-nitrobenzene C6H3ClFNO2 (Mass of molecular ion: 175)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
28.0 2.8 30.0 27.1 31.0 4.3 36.0 1.6 37.0 4.0 38.0 2.7 46.0 1.2 49.0 2.4 50.0 15.9 51.0 1.9 56.0 2.5 57.0 6.1 60.0 1.3 61.0 6.9 62.0 5.8 63.0 10.7 67.0 5.2 68.0 16.6 69.0 5.5 72.0 1.0 73.0 6.5 74.0 22.0 75.0 8.3 81.0 4.2 82.0 2.8 84.0 2.4 85.0 2.0 86.0 1.1 91.0 4.5 92.0 7.3 93.0 39.4 94.0 35.5 95.0 2.5 103.0 3.2 105.0 1.1 108.0 2.5 109.0 34.9 110.0 3.1 111.0 11.4 117.0 48.6 118.0 2.8 119.0 16.0 128.0 4.0 129.0 77.4 130.0 6.4 131.0 24.8 132.0 1.6 145.0 63.6 146.0 4.2 147.0 20.8 148.0 1.3 159.0 6.9 161.0 2.4 175.0 100.0 176.0 6.9 177.0 32.6 178.0 2.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 Cl F N O2 0.040 g : 0.5 ml CDCl3 4-chloro-2-fluoro-1-nitrobenzene 
Assign. Shift(ppm)
A 8.065 B 7.35 C 7.32
Hz ppm Int.3232.79 8.090 452 3227.54 8.076 50 3225.10 8.070 414 3224.24 8.068 669 3216.55 8.049 357 3215.94 8.047 398 3213.38 8.041 41 2943.85 7.367 498 2941.65 7.361 622 2938.96 7.354 30 2933.96 7.342 207 2933.35 7.340 408 2931.88 7.337 800 2930.91 7.334 1000 2929.81 7.331 615 2928.71 7.329 247 2927.73 7.326 426 2925.05 7.320 37 2922.36 7.313 547 2921.02 7.309 539 2920.17 7.307 423 2918.82 7.304 400
in CDCl3
KBr disc
nujol mull
