2,4-Dichlorotoluene(95-73-8) Raman

Product Name2,4-Dichlorotoluene

CAS 95-73-8

Molecular FormulaC7H6Cl2

Molecular Weight161.03

InChIInChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

InChIKey FUNUTBJJKQIVSY-UHFFFAOYSA-N

SmilesC1(C)=CC=C(Cl)C=C1Cl

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Mass

MS-NW-0591          
2,4-dichlorotoluene
C7H6Cl2             (Mass of molecular ion:    160)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.0
      37.0       1.5
      38.0       1.8
      39.0       6.1
      43.0       2.6
      44.0       5.7
      49.0       1.1
      50.0       3.3
      51.0       2.8
      61.0       3.0
      62.0       9.0
      63.0      12.6
      64.0       1.6
      65.0       1.1
      73.0       5.0
      74.0       1.8
      75.0       2.2
      85.0       1.5
      86.0       1.7
      87.0       2.0
      89.0      25.2
      90.0       4.1
      97.0       1.7
      99.0       5.2
     101.0       1.5
     123.0       4.0
     124.0       6.9
     125.0     100.0
     126.0       9.6
     127.0      31.4
     128.0       2.5
     159.0      10.2
     160.0      42.5
     161.0       9.4
     162.0      26.9
     163.0       3.0
     164.0       4.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ Cl₂	0.04 ml : 0.5 ml CDCl₃
2,4-dichlorotoluene

    Assign.     Shift(ppm)

      A             7.33
      B             7.11
      C             2.316

     Hz     ppm     Int.

    657.75   7.345     72
    657.38   7.341     78
    656.50   7.331    164
    655.25   7.317    111
    654.88   7.313     97
    637.63   7.120    553
    636.31   7.105    520
    207.50   2.317   1000
    204.94   2.289     33
    204.81   2.287     33

in CDCl3