2,6-Dichlorobenzyl chloride(2014-83-7) IR1

Product Name2,6-Dichlorobenzyl chloride

CAS 2014-83-7

Molecular FormulaC7H5Cl3

Molecular Weight195.47

InChIInChI=1S/C7H5Cl3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

InChIKey LBOBESSDSGODDD-UHFFFAOYSA-N

SmilesC1(Cl)=CC=CC(Cl)=C1CCl

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Mass

MS-NW-8759          
2,6-dichlorobenzyl chloride
C7H5Cl3             (Mass of molecular ion:    194)

   Source Temperature: 280 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      36.0       1.5
      37.0       1.3
      38.0       1.5
      39.0       3.2
      43.0       3.6
      43.5       1.2
      44.0       3.4
      49.0       1.2
      50.0       2.4
      51.0       1.7
      60.0       1.1
      61.0       8.7
      61.5       3.9
      62.0       9.1
      62.5       1.3
      63.0      10.1
      73.0       6.2
      74.0       1.4
      75.0       2.6
      79.0       4.3
      79.5       3.1
      80.0       2.9
      80.5       1.9
      85.0       1.6
      86.0       2.3
      87.0       2.7
      88.0       1.1
      89.0      10.4
      97.0       3.1
      99.0       3.1
     123.0      14.4
     124.0       5.2
     125.0       6.0
     126.0       1.7
     133.0       2.5
     135.0       1.6
     159.0     100.0
     160.0       8.7
     161.0      64.5
     162.0       5.3
     163.0      10.5
     194.0      18.7
     195.0       1.9
     196.0      18.0
     197.0       1.5
     198.0       5.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ Cl₃	0.040 g : 0.5 ml CDCl₃
2,6-dichlorobenzyl chloride

    Assign.     Shift(ppm)

      A             7.330
      B             7.204
      C             4.875

     Hz     ppm     Int.

   2934.81   7.344    333
   2934.45   7.343    330
   2926.51   7.323    551
   2885.99   7.222    235
   2878.54   7.203    194
   2877.32   7.200    172
   2869.87   7.181    132
   1948.49   4.876   1000

in CDCl3