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2,6-二氯苯胺

产品名称 2,6-二氯苯胺

CAS号608-31-1

分子式C6H5Cl2N

分子量162.02

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  • Mass

    MS-NW-1866          
    2,6-dichloroaniline
    C6H5Cl2N            (Mass of molecular ion:    161)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          26.0       1.1
          28.0       5.0
          36.0       1.5
          37.0       8.1
          38.0       9.3
          39.0       7.1
          41.0       2.5
          44.0       1.2
          44.5       6.8
          45.0       1.4
          45.5       2.0
          47.0       1.8
          48.0       1.2
          49.0       2.5
          50.0       3.0
          51.0       2.8
          52.0      12.0
          53.0       1.1
          60.0       1.8
          61.0       7.7
          62.0      13.4
          62.5       4.8
          63.0      29.1
          63.5       1.5
          64.0       7.2
          65.0       6.8
          66.0       1.1
          72.0       2.9
          73.0       9.6
          74.0       3.5
          75.0       4.3
          76.0       1.2
          80.5       3.3
          81.5       1.9
          86.0       1.5
          87.0       1.1
          88.0       2.4
          89.0       7.0
          90.0      41.2
          91.0       6.3
          97.0       2.9
          98.0       5.2
          99.0      12.6
         100.0       3.0
         101.0       4.3
         124.0       2.1
         125.0      12.9
         126.0      12.6
         127.0       5.1
         128.0       3.9
         133.0       3.7
         134.0       2.0
         135.0       2.6
         136.0       1.3
         160.0       1.1
         161.0     100.0
         162.0       7.8
         163.0      63.9
         164.0       4.6
         165.0      10.0
    

parameter in cyclohexane

90 MHz in CDCl3

parameter in benzene-d6


  • 1H NMR 300 MHz
    C6 H5 Cl2 N 3 mol% in cyclohexane
    2,6-dichloroaniline
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.035 D(B) 6.452 D(C) 4.32 J(A,B) 8.10 J(A,C) 0.33 J(B,C) 0.00 WASYLISHEN,R. & SCHAEFER,T. CAN.J.CHEM. 48, 1263 (1970)

         Hz     ppm     Int.
    

       2114.65   7.049    467
       2106.56   7.022    504
       1943.52   6.478    174
       1935.42   6.451    251
       1927.33   6.424    145
       1296.04   4.320   1000
    


  • 1H NMR 89.56 MHz
    C6 H5 Cl2 N 0.046 g : 0.5 ml CDCl3
    2,6-dichloroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.154 B 6.593 C 4.4

         Hz     ppm     Int.
    

        645.50   7.208    627
        644.69   7.199    661
        642.75   7.177     46
        642.31   7.172     42
        641.81   7.167     41
        641.44   7.163     38
        640.63   7.154     35
        637.31   7.117   1000
        636.88   7.112    940
        634.38   7.084     46
        597.94   6.677    469
        590.56   6.595    369
        589.31   6.581    316
        588.00   6.566     36
        581.94   6.498    259
        395.44   4.416     86
    


  • 1H NMR 300 MHz
    C6 H5 Cl2 N 3 mol% in benzene-d6
    2,6-dichloroaniline
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 6.851 D(B) 6.126 D(C) 3.87 J(A,B) 8.08 J(A,C) 0.34 J(B,C) 0.00 WASYLISHEN,R. & SCHAEFER,T. CAN.J.CHEM. 48, 1263 (1970)

         Hz     ppm     Int.
    

       2059.41   6.865    472
       2051.34   6.838    509
       1845.72   6.152    173
       1837.68   6.126    282
       1829.60   6.099    150
       1161.02   3.870   1000
    

in CDCl3



KBr disc



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