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1,2,4-Trichlorobenzene

Product Name 1,2,4-Trichlorobenzene

CAS120-82-1

MFC6H3Cl3

MW181.45

¹³CNMR

Mass

MS-NW-0787          
1,2,4-trichlorobenzene
C6H3Cl3             (Mass of molecular ion:    180)

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

      36.0       2.0
      37.0       5.1
      38.0       1.9
      47.0       1.1
      49.0       3.4
      50.0       7.2
      51.0       1.1
      54.0       2.9
      54.5       3.1
      55.0       2.9
      55.5       1.2
      60.0       1.3
      61.0       2.0
      62.0       1.1
      72.0       7.5
      73.0       8.2
      74.0      19.7
      75.0      11.3
      84.0       6.9
      85.0       3.4
      86.0       2.4
      87.0       1.0
      90.0       6.7
      91.0       6.3
      92.0       2.1
     108.0       2.5
     109.0      19.7
     110.0       4.3
     111.0       6.6
     112.0       1.2
     144.0       2.8
     145.0      27.9
     146.0       3.6
     147.0      18.1
     148.0       1.5
     149.0       2.9
     180.0     100.0
     181.0       7.5
     182.0      97.2
     183.0       6.6
     184.0      30.9
     185.0       2.1
     186.0       3.3
     214.0       1.1
     216.0       1.4

parameter in CDCl3

90 MHz in CDCl3

¹H NMR	300 MHz
C₆ H₃ Cl₃	in CCl₄
1,2,4-trichlorobenzene

    Parameter     ppm  Hz

      D(A)         7.36
      D(B)         7.12
      D(C)         7.27
       J(A,B)          2.2
       J(A,C)          0.5
       J(B,C)          8.2
     
     DISCHLER,B. ANGEW.CHEM. 78, 653 (1966)

     Hz     ppm     Int.

   2208.93   7.363    864
   2207.10   7.357    901
   2206.76   7.356    903
   2185.64   7.285    695
   2185.30   7.284    691
   2177.45   7.258   1000
   2140.80   7.136    762
   2138.62   7.129    718
   2132.60   7.109    530
   2130.42   7.101    503

¹H NMR	89.56 MHz
C₆ H₃ Cl₃	0.05 ml : 0.5 ml CDCl₃
1,2,4-trichlorobenzene

    Assign.     Shift(ppm)

      A             7.419
      B             7.323
      C             7.158
     
     J(A,C)=2.3HZ. J(B,C)=8.6HZ.

     Hz     ppm     Int.

    665.63   7.433    648
    663.31   7.407    806
    661.69   7.389    444
    653.13   7.293   1000
    650.25   7.261     35
    649.69   7.255     33
    648.63   7.243     27
    644.56   7.197    730
    642.25   7.172    617
    639.56   7.142     27
    635.94   7.101    268
    634.63   7.087     54
    633.69   7.076    241

in CDCl3

liquid film

4880 A,200 M,liquid

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