4-Chloro-o-phenylenediamine(95-83-0) ¹³C NMR

Product Name4-Chloro-o-phenylenediamine

CAS 95-83-0

Molecular FormulaC6H7ClN2

Molecular Weight142.59

InChIInChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2

InChIKey BXIXXXYDDJVHDL-UHFFFAOYSA-N

SmilesC1(N)=CC=C(Cl)C=C1N

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Mass

MS-NW-4709          
4-chloro-1,2-phenylenediamine
C6H7ClN2            (Mass of molecular ion:    142)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.4
      27.0       1.5
      28.0       5.2
      37.0       1.1
      38.0       2.1
      39.0       2.1
      41.0       1.8
      42.0       1.0
      43.0       1.4
      50.0       2.9
      51.0       7.1
      52.0       8.1
      53.0       9.0
      54.0       2.4
      62.0       1.6
      63.0       4.7
      64.0       1.2
      65.0       1.8
      66.0       1.1
      71.0       4.6
      72.0       1.8
      73.0       1.4
      75.0       1.1
      76.0       2.4
      77.0       1.2
      78.0       8.1
      79.0       3.8
      80.0      24.2
      81.0       1.7
      87.0       2.0
      89.0       1.3
      90.0       3.8
     105.0       3.2
     106.0       1.6
     107.0      11.1
     108.0       1.0
     114.0      19.1
     115.0       2.1
     116.0       6.3
     125.0       2.0
     141.0      17.5
     142.0     100.0
     143.0      13.0
     144.0      32.7
     145.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₇ Cl N₂	0.045 g : 0.5 ml CDCl₃
4-chloro-1,2-phenylenediamine

    Assign.     Shift(ppm)

      A          6.73 to 6.49
      B             3.35

     Hz     ppm     Int.

    600.13   6.701     46
    596.06   6.656    148
    594.13   6.634    373
    593.25   6.625    349
    590.56   6.595    387
    587.75   6.563     33
    581.69   6.495     44
    300.19   3.352   1000

in CDCl3