14254-41-2

氯代磷酸雙(2,4-二氯苯基)酯(14254-41-2)紅外圖譜(IR1)

產(chǎn)品名稱:氯代磷酸雙(2,4-二氯苯基)酯

CAS:14254-41-2

分子式:C12H6Cl5O3P

分子量: 406.41

InChI:InChI=1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H

InChIKey: RHQSBXZVIMBYKW-UHFFFAOYSA-N

Smiles:P(Cl)(OC1=CC=C(Cl)C=C1Cl)(OC1=CC=C(Cl)C=C1Cl)=O

Mass

MS-IW-9442          
bis(2,4-dichlorophenyl) phosphorochloridate
C12H6Cl5O3P         (Mass of molecular ion:    404)

   Source Temperature: 160 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       2.3
      28.0       4.8
      35.0       4.6
      36.0      45.8
      37.0       3.3
      38.0      16.4
      39.0       1.4
      47.0      18.5
      49.0       2.1
      50.0       4.8
      51.0       2.4
      53.0       2.0
      61.0       4.1
      62.0      11.2
      63.0      36.7
      64.0       2.0
      72.0       4.1
      73.0      22.2
      74.0      14.6
      75.0      17.5
      76.0       1.0
      79.0       3.2
      83.0       7.6
      84.0       3.5
      85.0       6.9
      86.0       1.6
      87.0       1.7
      96.0       1.0
      97.0       8.7
      98.0       8.0
      99.0       4.5
     100.0       2.5
     101.0       2.1
     103.0       1.1
     107.0       5.4
     108.0       1.4
     109.0      23.6
     110.0       5.1
     111.0       7.6
     112.0       1.6
     126.0       7.7
     128.0       2.5
     133.0      57.7
     134.0       3.8
     135.0      36.8
     136.0       2.3
     137.0       6.6
     145.0      13.9
     146.0       1.6
     147.0       8.9
     149.0       1.7
     161.0     100.0
     162.0      13.4
     163.0      64.2
     164.0       8.2
     165.0      10.9
     166.0       1.4
     173.0      15.8
     174.0       1.2
     175.0       5.4
     180.0       1.2
     182.0       1.2
     189.0       3.8
     191.0       1.3
     202.0       1.8
     203.0       2.8
     204.0       1.8
     207.0       2.0
     208.0       8.9
     209.0       1.9
     210.0       5.7
     212.0       1.0
     224.0       1.9
     225.0       1.6
     226.0       1.3
     227.0       5.5
     229.0       4.6
     231.0       1.5
     235.0       1.0
     236.0       9.5
     237.0       1.9
     238.0       6.4
     240.0       1.1
     243.0      19.6
     244.0       1.5
     245.0      18.4
     246.0       1.3
     247.0       5.9
     252.0       1.1
     270.0       4.0
     271.0       3.2
     272.0       4.1
     273.0       3.1
     274.0       1.7
     275.0       1.0
     306.0       1.3
     308.0       1.6
     369.0      75.1
     370.0       3.9
     371.0      92.2
     372.0      13.5
     373.0      45.7
     374.0       6.4
     375.0      10.0
     376.0       1.4
     377.0       1.0
     404.0      17.5
     406.0      26.5
     407.0       2.3
     408.0      16.8
     409.0       2.5
     410.0       5.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₆ Cl₅ O₃ P	0.039 g : 0.5 CDCl₃
bis(2,4-dichlorophenyl) phosphorochloridate

    Assign.     Shift(ppm)

      A             7.501
      B             7.496
      C             7.300

     Hz     ppm     Int.

   3007.20   7.525     25
   3005.49   7.521     34
   3001.34   7.510    511
   2999.63   7.506   1000
   2998.41   7.503    595
   2997.31   7.500    592
   2995.97   7.497    556
   2992.43   7.488    562
   2990.72   7.484    564
   2922.85   7.314    427
   2922.36   7.313    405
   2920.29   7.308    382
   2919.80   7.306    370
   2914.06   7.292    341
   2913.45   7.291    332
   2911.50   7.286    317
   2911.01   7.284    295

in CDCl3