3,4-Dichlorobenzotrifluoride(328-84-7) IR1

Product Name3,4-Dichlorobenzotrifluoride

CAS 328-84-7

Molecular FormulaC7H3Cl2F3

Molecular Weight215

InChIInChI=1S/C7H3Cl2F3/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

InChIKey XILPLWOGHPSJBK-UHFFFAOYSA-N

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

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3,4-Dichlorobenzotrifluoride(328-84-7) IR1
Mass

MS-IW-6259          
3,4-dichloro-alpha,alpha,alpha-trifluorotoluene
C7H3Cl2F3           (Mass of molecular ion:    214)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      37.0       1.3
      49.0       1.0
      50.0       3.5
      62.0       1.9
      69.0       3.6
      73.0       2.3
      74.0       6.9
      75.0       7.7
      79.0       1.0
      80.0       1.5
      84.0       2.1
      85.0       1.7
      89.0       2.4
      89.5       1.5
      93.0       1.8
      94.0       1.1
      97.0       3.0
      97.5       1.8
      98.0       2.1
      98.5       1.2
      99.0       1.9
     107.0       1.6
     108.0       1.6
     109.0       5.2
     110.0       1.2
     111.0       1.8
     125.0       3.1
     129.0       2.8
     143.0       4.2
     144.0       4.6
     145.0       1.9
     147.0       1.0
     159.0       2.5
     160.0       1.7
     161.0       1.0
     164.0      13.8
     165.0       1.0
     166.0       8.9
     168.0       1.4
     179.0      33.5
     180.0       3.0
     181.0      10.9
     195.0      21.1
     196.0       1.8
     197.0      13.6
     198.0       1.1
     199.0       2.2
     213.0       2.5
     214.0     100.0
     215.0       9.3
     216.0      63.6
     217.0       5.1
     218.0      10.3

400 MHz in CDCl3

3,4-Dichlorobenzotrifluoride(328-84-7) IR1

¹H NMR	399.65 MHz
C₇ H₃ Cl₂ F₃	0.05 ml : 0.5 ml CDCl₃
3,4-dichloro-alpha,alpha,alpha-trifluorotoluene

    Assign.     Shift(ppm)

      A             7.698
      B             7.547
      C             7.442

     Hz     ppm     Int.

   3077.76   7.702    915
   3077.39   7.701    919
   3075.93   7.697   1000
   3025.63   7.571     49
   3025.15   7.570     50
   3021.61   7.561    625
   3021.12   7.560    664
   3013.18   7.540    895
   3012.70   7.539    966
   2979.61   7.456    615
   2979.00   7.455    687
   2978.27   7.453    551
   2977.54   7.451    682
   2976.93   7.449    675
   2973.39   7.440     68
   2971.31   7.435    438
   2970.58   7.433    494
   2969.85   7.432    393
   2969.12   7.430    484
   2968.51   7.428    492
   2966.31   7.423    102

in CDCl3