4-Chloro-2-fluorotoluene(452-75-5) ¹H NMR

Product Name4-Chloro-2-fluorotoluene

CAS 452-75-5

Molecular FormulaC7H6ClF

Molecular Weight144.57

InChIInChI=1S/C7H6ClF/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3

InChIKey MKFCYQTVSDCXAQ-UHFFFAOYSA-N

SmilesC1(C)=CC=C(Cl)C=C1F

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Mass

MS-IW-9528          
4-chloro-2-fluorotoluene
C7H6ClF             (Mass of molecular ion:    144)

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

      28.0       1.4
      31.0       1.5
      38.0       1.0
      39.0       2.5
      43.0       1.2
      44.0       4.9
      50.0       2.4
      51.0       1.8
      53.5       1.0
      54.0       4.0
      57.0       5.4
      61.0       1.9
      62.0       3.6
      63.0       4.2
      72.0       1.5
      73.0       1.7
      74.0       1.2
      75.0       1.1
      81.0       3.7
      83.0       8.9
      89.0       2.0
      91.0       1.0
      93.0       1.0
     107.0      10.0
     108.0       4.0
     109.0     100.0
     110.0       7.8
     117.0       2.5
     143.0      20.0
     144.0      34.9
     145.0       8.9
     146.0      11.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Cl F	0.05 ml : 0.5 ml CDCl₃
4-chloro-2-fluorotoluene

    Assign.     Shift(ppm)

      A             7.06
      B             6.99
      C             2.207

     Hz     ppm     Int.

   2829.10   7.079    136
   2821.17   7.060    275
   2813.23   7.040    170
   2812.50   7.038    189
   2799.56   7.006    207
   2797.61   7.001    429
   2796.14   6.997    351
   2789.92   6.981    228
   2788.33   6.977    528
   2786.38   6.973    144
    883.42   2.211   1000

in CDCl3