1-Chloro-4-fluorobenzene(352-33-0) Raman

Product Name1-Chloro-4-fluorobenzene

CAS 352-33-0

Molecular FormulaC6H4ClF

Molecular Weight130.55

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

InChIKey RJCGZNCCVKIBHO-UHFFFAOYSA-N

SmilesC1(Cl)=CC=C(F)C=C1

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Mass

MS-NW-1005          
p-chlorofluorobenzene
C6H4ClF             (Mass of molecular ion:    130)

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

      31.0       1.1
      37.0       2.0
      38.0       1.3
      49.0       1.2
      50.0       6.3
      51.0       2.3
      57.0       1.1
      61.0       1.4
      62.0       1.2
      63.0       1.7
      65.0       2.8
      68.0       3.3
      69.0       3.7
      70.0       1.1
      73.0       1.7
      74.0       4.5
      75.0      13.9
      76.0       1.1
      93.0       1.9
      94.0       6.3
      95.0      42.0
      96.0       2.6
     130.0     100.0
     131.0       7.0
     132.0      31.7
     133.0       2.1

parameter in TMS

¹H NMR	300 MHz
C₆ H₄ Cl F	10 mol% in TMS
p-chlorofluorobenzene

    Parameter     ppm  Hz

      D(A)         7.147
      D(B)         6.832
      D(X)        -3.07
       J(A,A')         2.70
       J(A,B)          8.81
       J(A,B')         0.32
       J(A,X)          4.66
       J(A',B)         0.32
       J(A',B')        8.81
       J(A',X)         4.66
       J(B,B')         3.11
       J(B,X)          8.08
       J(B',X)         8.08
     
     LOEMKER,J.E. ET AL. J.PHYS.CHEM. 72, 991 (1968)
     F-19 REFERENCE : FLUOROBENZENE, SOLVENT : CCL4, SUHR,H. BER.BUNSENGES.
     PHYS.CHEM. 68, 169 (1964)

     Hz     ppm     Int.

   2154.67   7.182     76
   2151.17   7.171    799
   2148.92   7.163    366
   2147.68   7.159    410
   2146.21   7.154    331
   2144.93   7.150    491
   2144.49   7.148    466
   2143.61   7.145    363
   2142.11   7.140   1000
   2140.17   7.134    287
   2137.34   7.124    906
   2134.48   7.115    117
   2061.43   6.871    102
   2057.97   6.860    968
   2055.66   6.852    310
   2051.20   6.837    430
   2049.91   6.833    946
   2048.93   6.830    917
   2046.97   6.823    297
   2045.42   6.818    106
   2042.60   6.809    489
   2040.89   6.803    547
   2037.85   6.793    117

in CDCl3