4-CHLOROPHENYL PHOSPHORODICHLORIDATE(772-79-2) Raman

Product Name4-CHLOROPHENYL PHOSPHORODICHLORIDATE

CAS 772-79-2

Molecular FormulaC6H4Cl3O2P

Molecular Weight245.43

InChIInChI=1S/C6H4Cl3O2P/c7-5-1-3-6(4-2-5)11-12(8,9)10/h1-4H

InChIKey CCZMQYGSXWZFKI-UHFFFAOYSA-N

SmilesP(Cl)(Cl)(OC1=CC=C(Cl)C=C1)=O

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4-CHLOROPHENYL PHOSPHORODICHLORIDATE(772-79-2) Raman
Mass

MS-IW-0239          
p-chlorophenyl dichlorophosphate
C6H4Cl3O2P          (Mass of molecular ion:    244)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.5
      36.0       1.4
      37.0       1.5
      38.0       3.7
      39.0       2.7
      47.0       5.9
      49.0       1.5
      50.0       4.9
      51.0       2.1
      61.0       1.8
      62.0       3.6
      63.0      11.9
      64.0       3.8
      72.0       1.0
      73.0      11.2
      74.0       5.1
      75.0      18.0
      76.0       2.2
      85.0       1.1
      91.0       1.3
      92.0       1.2
      98.0       1.1
      99.0      42.0
     100.0       2.8
     101.0      13.3
     110.0       7.3
     111.0       6.0
     112.0       2.7
     113.0       1.9
     117.0       3.6
     119.0       2.3
     126.0       1.3
     127.0      75.3
     128.0       6.4
     129.0      25.4
     130.0       2.0
     139.0       1.1
     146.0       1.7
     148.0       1.0
     173.0      11.9
     174.0       2.4
     175.0       4.0
     208.0      71.1
     209.0      11.4
     210.0      46.9
     211.0       7.7
     212.0       8.1
     213.0       1.3
     244.0     100.0
     245.0       6.8
     246.0      98.3
     247.0       6.7
     248.0      31.4
     249.0       2.1
     250.0       3.4

400 MHz in CDCl3

4-CHLOROPHENYL PHOSPHORODICHLORIDATE(772-79-2) Raman

¹H NMR	399.65 MHz
C₆ H₄ Cl₃ O₂ P	0.05 ml : 0.5 ml CDCl₃
p-chlorophenyl dichlorophosphate

    Assign.     Shift(ppm)

      A             7.394
      B             7.253

     Hz     ppm     Int.

   2964.23   7.418     98
   2963.13   7.415    113
   2960.94   7.409    660
   2959.84   7.407    706
   2958.74   7.404    336
   2957.64   7.401    295
   2954.22   7.393    312
   2953.13   7.390    365
   2951.78   7.386    931
   2950.68   7.384    945
   2948.61   7.378    195
   2947.51   7.376    165
   2906.98   7.274    135
   2903.81   7.266    849
   2901.61   7.261   1000
   2899.29   7.255    323
   2896.97   7.249    281
   2894.65   7.243    812
   2892.46   7.238    688
   2889.16   7.230    101

in CDCl3