2,4-Dinitrotoluene(121-14-2) IR2

Product Name2,4-Dinitrotoluene

CAS 121-14-2

Molecular FormulaC7H6N2O4

Molecular Weight182.13

InChIInChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3

InChIKey RMBFBMJGBANMMK-UHFFFAOYSA-N

SmilesC1([N+]([O-])=O)=C(C)C=CC([N+]([O-])=O)=C1

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Mass

MS-NW-4799          
2,4-dinitrotoluene
C7H6N2O4            (Mass of molecular ion:    182)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       2.5
      28.0       4.5
      29.0       1.2
      30.0      22.9
      37.0       1.4
      38.0       3.4
      39.0      16.3
      40.0       2.8
      43.0       1.1
      46.0       1.3
      50.0       5.9
      51.0      12.3
      52.0      10.6
      53.0       2.7
      61.0       2.0
      62.0       6.8
      63.0      30.5
      64.0      12.3
      65.0       3.9
      66.0       2.8
      74.0       2.4
      75.0       3.0
      76.0       2.2
      77.0       9.9
      78.0      15.4
      79.0       4.7
      80.0       3.3
      86.0       1.8
      87.0       1.8
      89.0      56.5
      90.0      25.3
      91.0       7.2
      92.0       2.0
      94.0       1.3
     105.0       3.8
     106.0       5.9
     107.0       4.8
     108.0       2.2
     118.0      11.0
     119.0      18.6
     120.0       2.0
     135.0       1.0
     136.0       1.4
     148.0       2.5
     149.0       1.4
     165.0     100.0
     166.0       9.2
     167.0       1.1
     182.0       8.6

in CDCl3

CCl4 solution

KBr disc

nujol mull

4880 A,200 M,powder

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