348-51-6

2-氯氟苯(348-51-6)红外图谱(IR1)

产品名称:2-氯氟苯

CAS:348-51-6

分子式:C6H4ClF

分子量: 130.55

InChI:InChI=1S/C6H4ClF/c7-5-3-1-2-4-6(5)8/h1-4H

InChIKey: ZCJAYDKWZAWMPR-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC=C1F

Mass

MS-NW-1003          
o-chlorofluorobenzene
C6H4ClF             (Mass of molecular ion:    130)

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

      28.0       1.1
      31.0       1.2
      37.0       1.7
      38.0       1.1
      39.0       1.0
      49.0       1.1
      50.0       5.2
      51.0       2.1
      61.0       1.3
      62.0       1.2
      63.0       1.7
      65.0       2.7
      68.0       3.6
      69.0       3.8
      70.0       1.1
      73.0       1.3
      74.0       3.8
      75.0      13.4
      76.0       1.1
      93.0       2.3
      94.0       6.2
      95.0      39.6
      96.0       2.6
     104.0       1.3
     130.0     100.0
     131.0       6.8
     132.0      31.9
     133.0       2.1

parameter in CCl4

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	300 MHz
C₆ H₄ Cl F	10 vol% in CCl₄
o-chlorofluorobenzene

    Parameter     ppm  Hz

      D(A)         7.34
      D(B)         7.01
      D(C)         7.16
      D(D)         7.07
      D(X)        -1.18
       J(A,B)          8.01
       J(A,C)          1.70
       J(A,D)          0.31
       J(A,X)          7.33
       J(B,C)          7.47
       J(B,D)          1.46
       J(B,X)         -0.87
       J(C,D)          8.29
       J(C,X)          4.79
       J(D,X)          9.10
     
     ROARK,J.L. & SMITH,W.B. J.PHYS.CHEM. 73, 1046 (1969)
     F-19 REFERENCE : 1,1,2,2-TETRACHLORO-3,3,4,4-TETRAFLUOROCYCLOBUTANE

     Hz     ppm     Int.

   2210.63   7.369    491
   2208.97   7.363    520
   2202.95   7.343   1000
   2201.35   7.338    948
   2195.20   7.317    591
   2193.59   7.312    675
   2159.97   7.200    209
   2158.26   7.194    205
   2154.84   7.183    273
   2152.81   7.176    429
   2151.67   7.172    466
   2151.07   7.170    376
   2149.98   7.167    414
   2146.99   7.157    463
   2145.42   7.151    538
   2144.45   7.148    608
   2142.73   7.142    519
   2139.41   7.131    538
   2137.85   7.126    496
   2129.84   7.099    640
   2128.24   7.094    808
   2120.81   7.069    851
   2118.89   7.063    826
   2112.93   7.043    490
   2111.89   7.040    478
   2110.63   7.035    888
   2108.87   7.030    452
   2104.47   7.015    485
   2103.87   7.013    558
   2103.26   7.011    591
   2102.44   7.008    867
   2100.98   7.003    471
   2096.54   6.988    365
   2095.33   6.984    344
   2094.47   6.982    326
   2093.69   6.979    302

¹H NMR	89.56 MHz
C₆ H₄ Cl F	0.02 ml : 0.5 ml CDCl₃
o-chlorofluorobenzene

    Assign.     Shift(ppm)

      A          6.96 to 7.49

     Hz     ppm     Int.

    668.81   7.468    191
    667.94   7.459    186
    663.25   7.406    221
    662.31   7.396    197
    661.50   7.387    338
    660.63   7.377    356
    655.81   7.323    179
    653.56   7.298    393
    651.81   7.278    187
    649.94   7.258    256
    648.88   7.246    166
    647.50   7.230    172
    646.81   7.223    212
    646.06   7.214    349
    645.63   7.209    533
    644.69   7.199    273
    643.88   7.190    926
    643.06   7.181    470
    640.75   7.155    558
    639.69   7.143    490
    638.31   7.128   1000
    637.56   7.119    316
    636.69   7.110    677
    634.94   7.090    459
    633.69   7.076    359
    632.38   7.061    440
    630.56   7.041    166
    629.81   7.033    170
    629.25   7.027    292
    626.13   6.992    173

¹H NMR	399.65 MHz
C₆ H₄ Cl F	0.05 ml : 0.5 ml CDCl₃
o-chlorofluorobenzene

    Assign.     Shift(ppm)

      A             7.361
      B             7.198
      C             7.102
      D             7.050
     
     J(A,B)=1.7HZ
     J(A,C)=0.4HZ
     J(A,D)=8.1HZ
     J(A,F-19)=7.4HZ
     J(B,C)=8.3HZ
     J(B,D)=7.4HZ
     J(B,F-19)=4.9HZ
     J(C,D)=1.6HZ
     J(C,F-19)=9.3HZ
     J(D,F-19)=0.7HZ

     Hz     ppm     Int.

   2955.81   7.396     36
   2954.83   7.394     36
   2950.81   7.384    623
   2950.44   7.383    630
   2949.10   7.380    708
   2948.73   7.379    603
   2943.36   7.365    789
   2942.75   7.364    910
   2941.65   7.361    873
   2941.16   7.360    907
   2935.42   7.345    701
   2935.06   7.345    692
   2933.72   7.341    742
   2933.35   7.340    716
   2929.20   7.330     36
   2893.19   7.240     41
   2891.97   7.237     30
   2889.04   7.229    370
   2887.45   7.225    381
   2884.28   7.218    391
   2882.57   7.213    448
   2881.71   7.211    582
   2880.74   7.209    590
   2880.00   7.207    564
   2879.15   7.205    624
   2876.83   7.199    563
   2875.85   7.196    605
   2875.12   7.195    581
   2874.27   7.192    640
   2873.41   7.190    803
   2871.70   7.186    705
   2868.53   7.178    737
   2866.82   7.174    679
   2863.04   7.164     32
   2862.55   7.163     30
   2861.57   7.161     31
   2858.03   7.152     31
   2851.44   7.135     41
   2847.53   7.126    766
   2845.95   7.122    901
   2843.14   7.115     89
   2842.65   7.113     91
   2842.16   7.112     92
   2841.67   7.111     94
   2838.99   7.104    677
   2838.38   7.103    792
   2838.01   7.102    915
   2837.65   7.101    788
   2836.79   7.099    987
   2836.43   7.098    935
   2834.11   7.092     99
   2829.71   7.081    604
   2828.49   7.078    599
   2828.13   7.077    600
   2826.05   7.072    741
   2825.20   7.070    729
   2824.46   7.068    655
   2823.73   7.066    619
   2820.92   7.059     91
   2818.60   7.053    720
   2817.99   7.052   1000
   2817.26   7.050    953
   2816.41   7.048    886
   2815.67   7.046    683
   2812.87   7.039     80
   2812.26   7.037     79
   2810.67   7.033    551
   2809.94   7.032    522
   2809.08   7.029    517
   2808.35   7.028    475
   2805.42   7.020     41
   2804.81   7.019     41
   2804.08   7.017     34
   2803.34   7.015     30

in CDCl3