443-83-4

2-氯-6-氟甲苯(443-83-4)红外图谱(IR1)

产品名称:2-氯-6-氟甲苯

CAS:443-83-4

分子式:C7H6ClF

分子量: 144.57

InChI:InChI=1S/C7H6ClF/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

InChIKey: FNPVYRJTBXHIPB-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC(F)=C1C

Mass

MS-IW-0705          
2-chloro-6-fluorotoluene
C7H6ClF             (Mass of molecular ion:    144)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      39.0       1.5
      43.0       1.0
      44.0       4.6
      50.0       1.3
      51.0       1.3
      54.0       3.5
      57.0       4.1
      61.0       1.1
      62.0       2.5
      63.0       3.0
      72.0       1.1
      73.0       1.1
      81.0       2.6
      83.0       7.8
      89.0       1.9
     107.0      12.8
     108.0       9.4
     109.0     100.0
     110.0       8.0
     117.0       1.8
     143.0      14.3
     144.0      51.5
     145.0       8.5
     146.0      16.5
     147.0       1.3

400 MHz in CDCl3

parameter neat

¹H NMR	399.65 MHz
C₇ H₆ Cl F	0.05 ml : 0.5 ml CDCl₃
2-chloro-6-fluorotoluene

    Assign.     Shift(ppm)

      A             7.111
      B             7.043
      C             6.903
      D             2.276

     Hz     ppm     Int.

   2847.05   7.124    190
   2839.23   7.105    323
   2824.95   7.069    116
   2819.09   7.054    119
   2818.60   7.053    117
   2816.77   7.049    190
   2810.91   7.034    188
   2808.72   7.028     99
   2802.73   7.013     91
   2767.58   6.926    149
   2766.36   6.922    141
   2758.18   6.902    248
   2750.00   6.882    119
   2749.15   6.879    115
    911.13   2.280    994
    908.69   2.274   1000

¹H NMR	300 MHz
C₇ H₆ Cl F	neat
2-chloro-6-fluorotoluene

    Parameter     ppm  Hz

      D(A)         6.717
      D(B)         6.842
      D(C)         6.930
      D(D)         2.155
       J(A,B)          7.83
       J(A,C)          2.68
       J(A,D)          0.06
       J(A,X)          8.78
       J(B,C)          7.54
       J(B,D)         -0.03
       J(B,X)          5.90
       J(C,D)          0.02
       J(C,X)         -0.87
       J(D,X)          2.42
     
     ALBRIKTSEN,P. & HANSEN,G. ACTA CHEM.SCAND. 26, 2511 (1972)

     Hz     ppm     Int.

   2084.49   6.948    106
   2081.76   6.939    121
   2076.90   6.923    156
   2074.13   6.914    161
   2063.03   6.877     91
   2057.23   6.857     75
   2055.31   6.851    161
   2049.64   6.832    122
   2047.77   6.826     81
   2041.97   6.807     81
   2024.30   6.748    104
   2021.58   6.739     95
   2016.04   6.720    107
   2013.63   6.712     94
   2008.15   6.694     85
   2005.47   6.685     62
    647.74   2.159   1000
    645.33   2.151    872

in CDCl3