3-Chloro-2-methylaniline(87-60-5) MS

Product Name3-Chloro-2-methylaniline

CAS 87-60-5

Molecular FormulaC7H8ClN

Molecular Weight141.6

InChIInChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3

InChIKey ZUVPLKVDZNDZCM-UHFFFAOYSA-N

SmilesC1(N)=CC=CC(Cl)=C1C

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3-Chloro-2-methylaniline(87-60-5) MS
Mass

MS-NW-1439          
3-chloro-o-toluidine
C7H8ClN             (Mass of molecular ion:    141)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.2
      27.0       2.4
      28.0       4.5
      30.0       4.3
      37.0       1.1
      38.0       1.9
      39.0       4.4
      41.0       1.3
      42.0       2.2
      50.0       4.7
      51.0       9.7
      51.5       2.1
      52.0       6.6
      52.5       8.9
      53.0       3.3
      54.0       1.7
      61.0       1.0
      62.0       1.6
      63.0       3.5
      65.0       1.6
      70.5       2.3
      73.0       1.2
      74.0       1.5
      75.0       2.2
      76.0       1.8
      77.0      18.8
      78.0       7.3
      79.0       8.9
      80.0       1.5
      89.0       7.5
      90.0       1.0
     104.0       7.4
     105.0       3.2
     106.0      72.5
     107.0       5.9
     113.0       1.8
     124.0       2.0
     140.0      32.0
     141.0     100.0
     142.0      17.2
     143.0      31.7
     144.0       2.3

90 MHz in CDCl3

3-Chloro-2-methylaniline(87-60-5) MS

¹H NMR	89.56 MHz
C₇ H₈ Cl N	0.02 ml : 0.5 ml CDCl₃
3-chloro-o-toluidine

    Assign.     Shift(ppm)

      A             6.93
      B             6.78
      C             6.55
      D             3.57
      E             2.200

     Hz     ppm     Int.

    620.31   6.927     99
    619.88   6.922     97
    612.69   6.842    182
    611.94   6.833    151
    609.69   6.808    208
    603.69   6.741     55
    590.00   6.588    109
    588.06   6.567    102
    583.25   6.513     55
    582.75   6.507     62
    580.81   6.486     63
    324.88   3.628     33
    323.69   3.615     43
    320.25   3.576     85
    319.63   3.569     85
    318.69   3.559     81
    315.63   3.525     42
    315.31   3.521     41
    314.81   3.516     37
    197.00   2.200   1000

in CDCl3