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4-Chloronitrobenzene

Product Name 4-Chloronitrobenzene

CAS100-00-5

MFC6H4ClNO2

MW157.55

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  • Mass

    MS-NW-1367          
    p-chloronitrobenzene
    C6H4ClNO2           (Mass of molecular ion:    157)
    

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

          26.0       1.1
          27.0       1.2
          28.0       3.4
          30.0      23.8
          36.0       1.1
          37.0       6.3
          38.0       6.1
          39.0       3.5
          49.0       3.7
          50.0      38.6
          51.0      14.9
          60.0       1.0
          61.0       4.4
          62.0       2.8
          63.0       5.5
          64.0       1.8
          73.0      10.0
          74.0      22.8
          75.0     100.0
          76.0      15.5
          84.0       2.4
          85.0       9.4
          86.0       1.3
          87.0       3.1
          99.0      33.8
         100.0       2.0
         101.0      11.3
         110.0       1.6
         111.0      98.3
         112.0       7.2
         113.0      31.2
         114.0       2.2
         127.0      41.6
         128.0       2.9
         129.0      13.5
         141.0       3.0
         157.0      87.5
         158.0       6.1
         159.0      28.2
         160.0       2.0
    

90 MHz in CDCl3

parameter in CDCl3


  • 1H NMR 89.56 MHz
    C6 H4 Cl N O2 0.047 g : 0.5 ml CDCl3
    p-chloronitrobenzene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.180 B 7.528

         Hz     ppm     Int.
    

        741.94   8.285     26
        740.25   8.266     91
        737.44   8.235    674
        735.25   8.210    239
        733.63   8.192     62
        730.50   8.157    294
        728.25   8.132    906
        725.50   8.101    136
        723.75   8.082     41
        723.19   8.075     38
        722.19   8.064     28
        680.44   7.598    144
        677.69   7.567   1000
        675.44   7.542    295
        673.13   7.516     64
        672.19   7.506     71
        670.69   7.489    272
        668.50   7.465    742
        665.69   7.433     95
        664.00   7.415     32
    


  • 1H NMR 300 MHz
    C6 H4 Cl N O2 8 mol% in acetone
    p-chloronitrobenzene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.29 D(B) 7.71 J(A,A') 2.8 J(A,B) 8.7 J(A,B') 0.3 J(A',B) 0.3 J(A',B') 8.7 J(B,B') 2.5 DISCHLER,B. Z.NATURFORSCH. 20A, 888 (1965)

         Hz     ppm     Int.
    

       2494.72   8.316     92
       2491.57   8.305    896
       2489.45   8.298    301
       2484.79   8.283    318
       2482.66   8.276   1000
       2479.52   8.265    108
       2320.49   7.735    108
       2317.35   7.724   1000
       2315.21   7.717    317
       2310.56   7.702    301
       2308.44   7.695    899
       2305.28   7.684     92
    

in CDCl3



CCl4 solution



KBr disc



nujol mull



4880 A,100M,powder



ANION RADICAL, ELECTROLYTIC REDUCTION



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