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Back ChemicalBook Home>CAS DataBase List>95-51-2More Spectrum> 2-Chloroaniline(95-51-2) IR1

2-Chloroaniline(95-51-2) IR1

Product Name2-Chloroaniline

CAS95-51-2

Molecular FormulaC6H6ClN

Molecular Weight127.57

InChIInChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2

InChIKey AKCRQHGQIJBRMN-UHFFFAOYSA-N

SmilesC1(N)=CC=CC=C1Cl


  • Mass

    MS-NW-8470          
    o-chloroaniline
    C6H6ClN             (Mass of molecular ion:    127)
    

       Source Temperature: 260 °C
       Sample Temperature: 130 °C
       Reservoir, 75 eV
    

          28.0       3.0
          37.0       2.5
          38.0       4.5
          39.0       8.4
          40.0       1.3
          41.0       4.3
          42.0       1.4
          44.5       1.2
          45.5       5.1
          50.0       1.8
          51.0       1.9
          52.0       6.0
          61.0       1.8
          62.0       3.0
          63.0       8.4
          63.5       2.6
          64.0      11.6
          65.0      24.3
          66.0       3.1
          73.0       3.0
          74.0       1.2
          75.0       2.0
          90.0       2.6
          91.0       9.1
          92.0      20.2
          93.0       1.7
          99.0       4.5
         100.0       6.8
         101.0       2.2
         102.0       2.2
         126.0       1.4
         127.0     100.0
         128.0       7.4
         129.0      32.2
         130.0       2.2
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C6 H6 Cl N 0.04 ml : 0.5 ml CDCl3
    o-chloroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.22 B 7.03 C 6.72 D 6.67 E 3.92 A,B,C AND D WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        651.75   7.278    367
        650.94   7.269    393
        650.19   7.260    538
        649.81   7.256    471
        644.31   7.195    399
        643.56   7.186    470
        642.38   7.173    746
        642.00   7.169    670
        639.25   7.138    309
        637.69   7.121    281
        632.56   7.063    353
        630.81   7.044    558
        629.63   7.031    503
        624.13   6.969    699
        622.56   6.952    578
        606.13   6.768    472
        605.19   6.758   1000
        604.38   6.749    903
        603.81   6.742    997
        602.06   6.723    230
        598.06   6.678    417
        597.06   6.667    787
        596.44   6.660    917
        595.38   6.648    396
        594.69   6.641    383
        589.31   6.581    309
        587.63   6.562    251
        350.81   3.918    337
    

in CDCl3



CCl4 solution



liquid film



OXIDATION WITH PERBENZOIC ACID



2-Chloroaniline(95-51-2) IR1 Atlas of Related Products

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