95-51-2

2-Chloroaniline(95-51-2) MS

Product Name2-Chloroaniline

CAS 95-51-2

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

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2-Chloroaniline(95-51-2) MS
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

2-Chloroaniline(95-51-2) MS

¹H NMR	89.56 MHz
C₆ H₆ Cl N	0.04 ml : 0.5 ml CDCl₃
o-chloroaniline

    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