1-BROMO-2,3,5,6-TETRAFLUOROBENZENE(1559-88-2) IR1

Product Name1-BROMO-2,3,5,6-TETRAFLUOROBENZENE

CAS 1559-88-2

Molecular FormulaC6HBrF4

Molecular Weight228.97

InChIInChI=1S/C6HBrF4/c7-4-5(10)2(8)1-3(9)6(4)11/h1H

InChIKey YHAFCGSUIAFUCX-UHFFFAOYSA-N

SmilesC1(F)=CC(F)=C(F)C(Br)=C1F

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¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7551          
3-bromo-1,2,4,5-tetrafluorobenzene
C6HBrF4             (Mass of molecular ion:    228)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      31.0       5.2
      55.0       1.2
      61.0       2.3
      68.0       1.2
      74.0       1.9
      75.0       4.7
      79.0       3.7
      80.0       6.0
      86.0       1.6
      93.0       1.7
      98.0       2.7
      99.0      46.7
     100.0       2.5
     114.0       5.7
     115.0       5.6
     117.0       1.5
     130.0       4.5
     148.0       1.9
     149.0      64.1
     150.0       4.2
     228.0     100.0
     229.0       6.9
     230.0      98.4
     231.0       6.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H Br F₄	0.05 ml : 0.5 ml CDCl₃
3-bromo-1,2,4,5-tetrafluorobenzene

    Assign.     Shift(ppm)

      A             7.118
     
     J(A,F-19)=9.65HZ
     J(A,F-19)=7.20HZ

     Hz     ppm     Int.

   2864.01   7.167    270
   2861.33   7.160     21
   2859.99   7.157     29
   2856.81   7.149    539
   2854.37   7.143    535
   2851.68   7.136     53
   2849.61   7.131    312
   2847.17   7.125   1000
   2844.73   7.119    301
   2839.97   7.107    537
   2837.52   7.101    527
   2833.62   7.091     29
   2833.01   7.089     28
   2830.32   7.082    266

in CDCl3