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Back ChemicalBook Home>CAS DataBase List>635-22-3More Spectrum> 4-Chloro-3-nitroaniline (635-22-3) MS

4-Chloro-3-nitroaniline (635-22-3) MS

Molecular FormulaC6H5ClN2O2

Molecular Weight172.57

InChIInChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2

InChIKey FOHHWGVAOVDVLP-UHFFFAOYSA-N

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


  • Mass

    MS-NW-7383          
    4-chloro-3-nitroaniline
    C6H5ClN2O2          (Mass of molecular ion:    172)
    

       Source Temperature: 140 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          28.0       3.9
          30.0       3.0
          37.0       2.8
          38.0       3.3
          39.0       5.8
          40.0       1.9
          41.0       9.1
          44.5       1.5
          46.0       1.2
          49.0       1.8
          50.0       2.5
          51.0       4.2
          52.0       8.1
          53.0       1.7
          54.0       1.7
          61.0       4.0
          62.0       9.5
          63.0      32.6
          64.0       9.7
          65.0       6.6
          66.0       2.4
          72.0       2.4
          73.0      10.5
          74.0       2.7
          75.0       4.5
          76.0       2.1
          78.0       4.4
          79.0       2.0
          86.0       1.6
          87.0       2.1
          88.0       1.6
          89.0       4.6
          90.0      43.3
          91.0      17.6
          92.0       1.4
          97.0       1.1
          98.0       1.4
          99.0      59.2
         100.0       5.0
         101.0      19.6
         102.0       1.5
         106.0       1.1
         109.0       1.5
         114.0      16.0
         115.0       1.2
         116.0       5.6
         125.0       3.8
         126.0      90.9
         127.0       8.3
         128.0      29.8
         129.0       2.6
         137.0       5.1
         142.0       2.8
         143.0       1.0
         144.0       1.8
         172.0     100.0
         173.0       8.3
         174.0      33.1
         175.0       2.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H5 Cl N2 O2 0.038 g : 0.5 ml DMSO-d6
    4-chloro-3-nitroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.321 B 7.145 C 6.848 D 5.94

         Hz     ppm     Int.
    

       2929.93   7.332    436
       2921.75   7.311    463
       2855.59   7.146    677
       2740.36   6.857    414
       2732.91   6.839    393
       2375.73   5.945   1000
    

in DMSO-d6

in CDCl3





KBr disc



nujol mull



4-Chloro-3-nitroaniline (635-22-3) MS Atlas of Related Products

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