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Back ChemicalBook Home>CAS DataBase List>109-09-1More Spectrum> 2-Chloropyridine(109-09-1) IR1

2-Chloropyridine(109-09-1) IR1

Product Name2-Chloropyridine

CAS109-09-1

Molecular FormulaC5H4ClN

Molecular Weight113.54

InChIInChI=1S/C5H4ClN/c6-5-3-1-2-4-7-5/h1-4H

InChIKey OKDGRDCXVWSXDC-UHFFFAOYSA-N

SmilesC1(Cl)=NC=CC=C1


  • Mass

    MS-NW-4434          
    2-chloropyridine
    C5H4ClN             (Mass of molecular ion:    113)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          26.0       4.5
          27.0       4.8
          28.0       2.0
          37.0       2.2
          38.0       3.0
          39.0       2.5
          49.0       3.1
          50.0      13.4
          51.0      32.5
          52.0       9.6
          56.5       1.9
          60.0       2.0
          62.0       1.3
          73.0       1.1
          75.0       2.5
          76.0       4.2
          77.0       1.1
          78.0     100.0
          79.0       6.3
          85.0       1.6
          86.0       1.5
         113.0      69.9
         114.0       4.4
         115.0      23.5
         116.0       1.4
    

90 MHz in CDCl3

parameter in CCl4


  • 1H NMR 89.56 MHz
    C5 H4 Cl N 0.02 ml : 0.5 ml CDCl3
    2-chloropyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.387 B 7.642 C 7.32 D 7.23 J(A,D)=4.8HZ. J(A,B)=2.0HZ. J(A,C)=0.7HZ.

         Hz     ppm     Int.
    

        755.13   8.432    236
        754.38   8.424    272
        753.13   8.410    294
        752.31   8.401    288
        750.31   8.378    278
        749.63   8.371    292
        748.25   8.355    318
        747.50   8.347    301
        694.63   7.757    357
        692.56   7.733    348
        687.44   7.676    480
        686.56   7.666    573
        685.31   7.652    462
        684.50   7.643    581
        679.38   7.586    810
        677.31   7.563    761
        660.63   7.377    540
        659.44   7.364    966
        658.56   7.354    826
        652.81   7.290    880
        651.69   7.277   1000
        650.50   7.264    446
        648.00   7.236    667
        646.81   7.223    523
        645.63   7.209    514
        644.44   7.196    455
        640.81   7.156    444
        639.56   7.142    400
    


  • 1H NMR 300 MHz
    C5 H4 Cl N 10 mol% in CCl4
    2-chloropyridine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.320 D(B) 7.162 D(C) 7.592 D(D) 7.257 J(A,B) 4.83 J(A,C) 1.97 J(A,D) 0.88 J(B,C) 7.41 J(B,D) 0.97 J(C,D) 7.98 COX,R.H. & BOTHNER-BY,A.A. J.PHYS.CHEM. 73, 2465 (1969)

         Hz     ppm     Int.
    

       2499.84   8.333    491
       2498.99   8.330    530
       2497.89   8.326    542
       2497.03   8.323    522
       2495.03   8.317    525
       2494.17   8.314    551
       2493.06   8.310    551
       2492.21   8.307    515
       2286.53   7.622    377
       2284.58   7.615    373
       2279.07   7.597    562
       2278.60   7.595    588
       2277.13   7.590    568
       2276.65   7.589    565
       2271.16   7.571    497
       2269.20   7.564    486
       2181.83   7.273    573
       2180.95   7.270   1000
       2180.05   7.267    612
       2173.85   7.246    501
       2172.97   7.243    854
       2172.07   7.240    513
       2155.05   7.183    522
       2154.10   7.180    491
       2150.23   7.167    519
       2149.28   7.164    505
       2147.68   7.159    491
       2146.71   7.156    455
       2142.84   7.143    450
       2141.89   7.140    429
    

in CDCl3



liquid film





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