4-Bromo-2-fluoro-1-iodobenzene(105931-73-5) IR1
Product Name4-Bromo-2-fluoro-1-iodobenzene
CAS105931-73-5
Molecular FormulaC6H3BrFI
Molecular Weight300.89
InChIInChI=1S/C6H3BrFI/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey XRMZKCQCINEBEI-UHFFFAOYSA-N
SmilesC1(I)=CC=C(Br)C=C1F
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MassMS-KW-0233 4-bromo-2-fluoro-1-iodobenzene C6H3BrFI (Mass of molecular ion: 300)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
31.0 2.3 37.0 3.4 38.0 2.2 49.0 1.8 50.0 12.9 56.0 1.5 61.0 4.4 62.0 3.6 63.0 2.7 68.0 12.8 69.0 1.3 73.0 3.3 74.0 13.8 75.0 5.5 92.0 4.9 93.0 13.4 94.0 63.8 95.0 4.3 127.0 3.9 150.0 5.5 151.0 5.6 173.0 29.8 174.0 2.8 175.0 29.2 176.0 2.2 221.0 8.8 300.0 100.0 301.0 6.6 302.0 96.9 303.0 6.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C6H3BrFI 0.041 g : 0.5 ml CDCl3 4-bromo-2-fluoro-1-iodobenzene 
Assign. Shift(ppm)
A 7.594 B 7.230 C 7.056
Hz ppm Int.3043.71 7.614 898 3036.99 7.597 927 3035.28 7.593 1000 3028.57 7.576 960 2895.39 7.243 935 2893.32 7.238 944 2887.94 7.224 919 2885.75 7.219 966 2826.30 7.070 648 2825.57 7.068 629 2824.22 7.065 591 2823.37 7.063 569 2817.88 7.049 599 2817.14 7.047 586 2815.80 7.044 554 2814.95 7.042 518
in CDCl3
KBr disk
