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2-Bromothiophene

Product Name 2-Bromothiophene

CAS1003-09-4

MFC4H3BrS

MW163.04

¹³CNMR

Mass

MS-NW-1138          
2-bromothiophene
C4H3BrS             (Mass of molecular ion:    162)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.0
      26.0       1.6
      36.0       1.0
      37.0       6.6
      38.0      10.6
      39.0      52.5
      40.0       1.7
      41.0       1.0
      44.0       3.0
      45.0      23.8
      47.0       1.0
      49.0       2.7
      50.0       4.3
      56.0       1.8
      57.0      18.8
      58.0       9.4
      59.0       1.0
      69.0       2.6
      79.0       1.5
      80.0       1.1
      81.0       8.3
      82.0       8.8
      83.0      64.0
      84.0       3.8
      85.0       2.8
     117.0       4.0
     119.0       3.7
     123.0       1.4
     125.0       1.5
     136.0       2.1
     138.0       2.0
     162.0      96.7
     163.0       5.0
     164.0     100.0
     165.0       5.3
     166.0       4.2

90 MHz in CDCl3

parameter in CS2

parameter in TMS

¹H NMR	89.56 MHz
C₄ H₃ Br S	0.02 ml : 0.5 ml CDCl₃
2-bromothiophene

    Assign.     Shift(ppm)

      A             7.209
      B             7.037
      C             6.859

     Hz     ppm     Int.

    649.63   7.254    556
    648.19   7.238    758
    644.13   7.193    738
    642.69   7.177    921
    640.69   7.154     36
    633.13   7.070    569
    631.69   7.054    596
    629.44   7.029    981
    628.00   7.013    755
    618.00   6.901   1000
    616.38   6.883     39
    614.31   6.860    624
    612.50   6.839    718
    608.81   6.798    487

¹H NMR	300 MHz
C₄ H₃ Br S	50 vol% in CS₂
2-bromothiophene

    Parameter     ppm  Hz

      D(A)         6.888
      D(B)         6.700
      D(C)         7.031
       J(A,B)          3.72
       J(A,C)          1.37
       J(B,C)          5.63
     
     JAKOBSEN,H.J. & NIELSEN,J.A. J.MAGN.RESON. 1, 393 (1969)

     Hz     ppm     Int.

   2112.89   7.043    817
   2111.52   7.038    865
   2107.27   7.024    914
   2105.90   7.020    966
   2069.00   6.897    855
   2067.63   6.892    839
   2065.28   6.884   1000
   2063.91   6.880    920
   2014.53   6.715    945
   2010.81   6.703    857
   2008.92   6.696    871
   2005.19   6.684    743

¹H NMR	300 MHz
C₄ H₃ Br S	in TMS
2-bromothiophene

    Parameter     ppm  Hz

      D(A)         6.927
      D(B)         6.728
      D(C)         7.052
       J(A,B)          3.68
       J(A,C)          1.39
       J(B,C)          5.63
     
     READ,J.M. ET AL. SPECTROCHIM.ACTA 21, 85 (1965)
     J(A,C-13):172.49HZ. J(B,C-13):169.91HZ. J(C,C-13):188.11HZ.

     Hz     ppm     Int.

   2119.20   7.064    811
   2117.81   7.059    866
   2113.58   7.045    909
   2112.19   7.041    970
   2080.68   6.936    861
   2079.29   6.931    839
   2077.00   6.923   1000
   2075.61   6.919    911
   2022.91   6.743    942
   2019.23   6.731    860
   2017.30   6.724    865
   2013.61   6.712    745

in CDCl3

liquid film

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