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3-Chlorobenzonitrile

Product Name 3-Chlorobenzonitrile

CAS766-84-7

MFC7H4ClN

MW137.57

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  • Mass

    MS-NW-7143          
    m-chlorobenzonitrile
    C7H4ClN             (Mass of molecular ion:    137)
    

       Source Temperature: 240 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       1.5
          28.0       1.0
          37.0       3.7
          38.0       2.8
          39.0       1.8
          49.0       2.9
          50.0      13.9
          50.5       2.7
          51.0       9.3
          52.0       2.0
          60.0       1.1
          61.0       1.4
          62.0       1.7
          63.0       1.1
          68.5       3.6
          69.5       1.1
          73.0       2.9
          74.0       5.3
          75.0      14.6
          76.0       7.8
          84.0       1.0
          86.0       1.1
          99.0       2.1
         100.0       2.7
         101.0       3.2
         102.0      33.2
         103.0       2.6
         110.0       2.6
         137.0     100.0
         138.0       8.3
         139.0      32.3
         140.0       2.7
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C7 H4 Cl N 0.040 g : 0.5 ml CDCl3
    m-chlorobenzonitrile
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.641 B 7.597 C 7.566 D 7.444

         Hz     ppm     Int.
    

       3056.03   7.647    526
       3055.54   7.646    536
       3053.96   7.642   1000
       3052.37   7.638    711
       3042.36   7.613    449
       3041.14   7.610    513
       3040.16   7.608    374
       3039.06   7.605    366
       3034.18   7.593    513
       3033.08   7.590    664
       3032.10   7.587    500
       3031.01   7.585    541
       3029.54   7.581    466
       3028.32   7.578    613
       3026.86   7.574    398
       3024.29   7.568     51
       3021.73   7.561    646
       3020.51   7.558    766
       3019.04   7.555    456
       2982.06   7.462    692
       2981.57   7.461    633
       2973.88   7.442    975
       2966.19   7.422    415
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder