496-72-0

3,4-Diaminotoluene(496-72-0) IR3

Product Name3,4-Diaminotoluene

CAS 496-72-0

Molecular FormulaC7H10N2

Molecular Weight122.17

InChIInChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3

InChIKey DGRGLKZMKWPMOH-UHFFFAOYSA-N

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

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3,4-Diaminotoluene(496-72-0) IR3
Mass

MS-NW-3519          
4-methyl-1,2-phenylenediamine
C7H10N2             (Mass of molecular ion:    122)

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

      27.0       1.9
      28.0       5.1
      38.0       1.9
      39.0       5.3
      40.0       1.5
      41.0       3.5
      42.0       2.6
      50.0       2.0
      51.0       5.0
      52.0       5.4
      53.0       3.2
      54.0       3.1
      61.0       2.6
      63.0       1.6
      65.0       3.7
      66.0       3.2
      67.0       3.6
      68.0       1.0
      76.0       1.4
      77.0       9.3
      78.0      10.9
      79.0       2.1
      80.0       4.3
      81.0       1.1
      92.0       1.5
      93.0       6.4
      94.0      19.2
      95.0       3.2
     104.0       8.8
     105.0       7.5
     106.0      12.6
     107.0       2.3
     119.0       1.4
     121.0      61.4
     122.0     100.0
     123.0       8.6

90 MHz in CDCl3

3,4-Diaminotoluene(496-72-0) IR3

¹H NMR	89.56 MHz
C₇ H₁₀ N₂	0.049 g : 0.5 ml CDCl₃
4-methyl-1,2-phenylenediamine

    Assign.     Shift(ppm)

      A             6.57
      B             6.49
      C             6.49
      D             3.28
      E             2.19

     Hz     ppm     Int.

    593.69   6.629     60
    585.44   6.537    477
    584.25   6.524    117
    583.06   6.511    225
    582.50   6.505    229
    581.63   6.495    215
    581.00   6.488    196
    580.38   6.481    120
    579.81   6.474    111
    579.19   6.468    101
    576.56   6.438     34
    576.06   6.433     34
    293.44   3.277    958
    198.56   2.218     25
    196.69   2.197    731
    196.13   2.190   1000

in CDCl3