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1-Bromo-4-chloro-2-methylbenzene

Product Name 1-Bromo-4-chloro-2-methylbenzene

CAS14495-51-3

MFC7H6BrCl

MW205.48

¹³CNMR

Mass

MS-IW-2209          
2-bromo-5-chlorotoluene
C7H6BrCl            (Mass of molecular ion:    204)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      37.0       2.4
      38.0       3.8
      39.0      10.4
      43.0       3.8
      43.5       1.0
      44.0      10.3
      44.5       2.4
      49.0       2.0
      50.0       6.0
      51.0       5.5
      60.0       1.0
      61.0       5.1
      62.0      13.6
      62.5       1.8
      63.0      26.3
      64.0       4.5
      65.0       1.9
      73.0       6.1
      74.0       4.1
      75.0       4.7
      84.0       5.6
      85.0       6.6
      86.0       4.1
      87.0       3.9
      88.0       2.0
      89.0      56.2
      90.0      16.6
      91.0       1.2
      97.0       1.5
      99.0       8.1
     101.0       2.4
     102.0       1.4
     103.0       1.7
     123.0       2.7
     124.0      11.6
     125.0      85.3
     126.0      10.1
     127.0      27.2
     128.0       2.1
     169.0      26.9
     170.0       2.2
     171.0      26.1
     172.0       2.0
     203.0       3.8
     204.0      77.2
     205.0      10.7
     206.0     100.0
     207.0       8.8
     208.0      24.1
     209.0       1.8

400 MHz in CDCl3

parameter in CS2

¹H NMR	399.65 MHz
C₇ H₆ Br Cl	0.05 ml : 0.5 ml CDCl₃
2-bromo-5-chlorotoluene

    Assign.     Shift(ppm)

      A             7.378
      B             7.159
      C             6.975
      D             2.321

     Hz     ppm     Int.

   2953.13   7.390    306
   2944.70   7.369    336
   2862.79   7.164    212
   2862.30   7.163    232
   2860.11   7.157    226
   2859.74   7.156    244
   2793.58   6.991    148
   2792.97   6.989    164
   2791.63   6.986     76
   2791.02   6.984    142
   2790.41   6.983    155
   2785.03   6.969    128
   2784.55   6.968    144
   2782.47   6.963    128
   2781.86   6.961    138
    927.49   2.321   1000

¹H NMR	300 MHz
C₇ H₆ Br Cl	10 mol% in CS₂
2-bromo-5-chlorotoluene

    Parameter     ppm  Hz

      D(A)         7.097
      D(B)         6.919
      D(C)         7.317
      D(D)         2.313
       J(A,B)          2.55
       J(A,C)          0.33
       J(A,D)         -0.63
       J(B,C)          8.48
       J(B,D)         -0.58
       J(C,D)          0.40
     
     KOTOWYCZ,G. & SCHAEFER,T. CAN.J.CHEM. 44, 2743 (1966)

     Hz     ppm     Int.

   2199.50   7.332    178
   2191.04   7.303    208
   2130.40   7.101    153
   2127.97   7.093    165
   2081.26   6.938     94
   2080.84   6.936     96
   2078.78   6.929     86
   2078.22   6.927     85
   2072.80   6.909     83
   2072.38   6.908     83
   2070.32   6.901     75
   2069.81   6.899     73
    693.82   2.313   1000

in CDCl3

liquid film

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