5216-25-1

4-Chlorobenzotrichloride (5216-25-1) IR1

Product Name4-Chlorobenzotrichloride

CAS 5216-25-1

Molecular FormulaC7H4Cl4

Molecular Weight229.92

InChIInChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

InChIKey LVZPKYYPPLUECL-UHFFFAOYSA-N

SmilesC1(Cl)=CC=C(C(Cl)(Cl)Cl)C=C1

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4-Chlorobenzotrichloride (5216-25-1) IR1
Mass

MS-NW-4682          
alpha,alpha,alpha,4-tetrachlorotoluene
C7H4Cl4             (Mass of molecular ion:    228)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      28.0       1.1
      35.0       1.6
      36.0       6.2
      37.0       2.4
      38.0       2.0
      39.0       1.9
      43.0       3.4
      49.0       1.7
      50.0       5.0
      51.0       1.8
      60.0       2.2
      61.0       9.0
      62.0       6.7
      63.0       4.7
      72.0       1.7
      73.0       8.3
      74.0       2.1
      75.0       3.8
      78.5       1.7
      79.0       3.3
      79.5       1.2
      80.0       2.0
      84.0       1.3
      85.0       2.1
      86.0       3.4
      87.0       4.7
      88.0       1.6
      96.0       2.1
      96.5       4.4
      97.0       5.4
      97.5       4.3
      98.0       1.3
      98.5       1.3
      99.0       2.0
     107.0       2.0
     109.0       1.5
     111.0       2.0
     123.0      25.8
     124.0       2.5
     125.0       8.6
     133.0       2.3
     135.0       1.5
     139.0       2.9
     141.0       1.1
     155.0       3.3
     157.0       5.6
     158.0       9.5
     159.0       4.5
     160.0       6.0
     161.0       1.5
     162.0       1.1
     176.0       1.0
     193.0     100.0
     194.0       8.3
     195.0      96.9
     196.0       7.9
     197.0      31.4
     198.0       2.5
     199.0       3.4
     228.0       3.3
     230.0       4.0
     232.0       2.1
     246.0       3.1
     248.0       2.0

90 MHz in CDCl3

4-Chlorobenzotrichloride (5216-25-1) IR1

¹H NMR	89.56 MHz
C₇ H₄ Cl₄	0.02 ml : 0.5 ml CDCl₃
alpha,alpha,alpha,4-tetrachlorotoluene

    Assign.     Shift(ppm)

      A             7.402
      B             7.857

     Hz     ppm     Int.

    711.50   7.945     65
    708.81   7.915    742
    708.13   7.907    222
    706.63   7.891    222
    702.00   7.839    257
    701.25   7.830     54
    699.75   7.814    978
    697.06   7.784    128
    669.19   7.472    124
    666.50   7.442   1000
    665.94   7.436    350
    664.25   7.417    266
    659.69   7.366    213
    658.13   7.349    246
    657.44   7.341    714
    654.75   7.311     59

in CDCl3