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Back ChemicalBook Home>CAS DataBase List>6575-05-9More Spectrum> 2,4,6-Trichlorobenzonitrile(6575-05-9) IR2

2,4,6-Trichlorobenzonitrile(6575-05-9) IR2

Molecular FormulaC7H2Cl3N

Molecular Weight206.46

InChIInChI=1S/C7H2Cl3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H

InChIKey PGODHCIOIPODFE-UHFFFAOYSA-N

SmilesC(#N)C1=C(Cl)C=C(Cl)C=C1Cl


  • Mass

    MS-NW-9484          
    2,4,6-trichlorobenzonitrile
    C7H2Cl3N            (Mass of molecular ion:    205)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          36.0       1.4
          37.0       2.0
          49.0       1.6
          50.0       4.2
          60.0       1.5
          61.0       1.6
          62.0       1.8
          67.0       1.1
          67.5       1.3
          72.0       2.0
          73.0       3.6
          74.0       3.7
          75.0       4.3
          84.0       3.6
          84.5       1.0
          85.0       2.6
          86.0       2.4
          87.0       1.0
          89.0       1.2
          90.0       1.1
          98.0       1.7
          99.0      10.7
         100.0       6.9
         102.5       4.7
         103.5       4.5
         104.5       1.4
         108.0       1.6
         109.0       3.8
         110.0       1.8
         111.0       1.3
         134.0      12.8
         135.0       3.1
         136.0       4.3
         144.0       2.1
         145.0       1.1
         146.0       1.3
         169.0       2.5
         170.0      15.6
         171.0       2.8
         172.0       9.9
         173.0       1.0
         174.0       1.5
         205.0     100.0
         206.0       8.2
         207.0      95.5
         208.0       7.7
         209.0      30.7
         210.0       2.4
         211.0       3.3
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C7 H2 Cl3 N 0.036 g : 0.5 ml CDCl3
    2,4,6-trichlorobenzonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.474

         Hz     ppm     Int.
    

       2242.20   7.474   1000
    

in CDCl3



KBr disc



nujol mull



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