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2136-89-2

2-氯三氯甲苯(2136-89-2)红外图谱(IR1)

产品名称:2-氯三氯甲苯

CAS:2136-89-2

分子式:C7H4Cl4

分子量: 229.92

InChI:InChI=1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

InChIKey: MFHPYLFZSCSNST-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1073          
    alpha,alpha,alpha,2-tetrachlorotoluene
    C7H4Cl4             (Mass of molecular ion:    228)
    

       Source Temperature: 240 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       1.3
          35.0       1.3
          36.0       2.8
          37.0       1.7
          38.0       1.5
          39.0       3.4
          43.0       3.5
          49.0       1.5
          50.0       3.5
          51.0       1.5
          60.0       2.1
          61.0      10.3
          62.0       6.8
          63.0       4.7
          72.0       1.3
          73.0       7.7
          74.0       1.7
          75.0       2.8
          78.0       1.2
          78.5       2.3
          79.0       4.2
          79.5       2.0
          80.0       2.2
          84.0       1.8
          85.0       2.1
          86.0       2.9
          87.0       4.3
          88.0       1.7
          96.0       2.9
          96.5       6.2
          97.0       6.2
          97.5       6.2
          98.0       1.7
          98.5       1.9
          99.0       2.2
         107.0       1.6
         109.0       1.3
         123.0      22.0
         124.0       2.3
         125.0       6.9
         133.0       2.4
         135.0       1.4
         157.0       4.1
         158.0       7.4
         159.0       7.2
         160.0       5.4
         161.0       3.4
         162.0       1.0
         176.0       1.6
         193.0     100.0
         194.0       8.3
         195.0      95.7
         196.0       8.1
         197.0      31.1
         198.0       2.6
         199.0       3.5
         228.0       6.8
         229.0       1.2
         230.0       8.6
         231.0       1.0
         232.0       4.1
         246.0       5.2
         248.0       3.2
         316.0       1.1
         318.0       1.6
    

parameter in CDCl3

400 MHz in CDCl3

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    1H NMR 300 MHz
    C7 H4 Cl4 10 wt% in CCl4
    o-chlorobenzylidyne trichloride
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.14 D(B) 7.27 D(C) 7.31 D(D) 7.48 J(A,B) 7.43 J(A,C) 1.84 J(A,D) 0.31 J(B,C) 7.06 J(B,D) 1.25 J(C,D) 7.71 SMITH,W.B. ET AL. J.PHYS.CHEM. 74, 812 (1970)

         Hz     ppm     Int.
    

       2453.06   8.177     12
       2446.69   8.156    516
       2444.70   8.149    387
       2444.07   8.147    377
       2439.74   8.132    624
       2437.43   8.125    552
       2430.73   8.102     13
       2248.78   7.496    451
       2247.03   7.490    548
       2241.87   7.473    427
       2241.25   7.471    458
       2239.83   7.466    634
       2232.88   7.443     19
       2201.97   7.340    193
       2199.86   7.333    239
       2194.93   7.316    589
       2192.79   7.309    547
       2187.87   7.293   1000
       2185.83   7.286    716
       2180.73   7.269    598
       2179.12   7.264    518
       2173.66   7.246    198
       2172.11   7.240    157
    

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    1H NMR 399.65 MHz
    C7 H4 Cl4 0.05 ml : 0.5 ml CDCl3
    alpha,alpha,alpha,2-tetrachlorotoluene
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.151 B 7.510 C *1 7.352 D *1 7.310

         Hz     ppm     Int.
    

       3266.24   8.173     41
       3262.08   8.163    809
       3260.38   8.159    735
       3260.01   8.158    656
       3257.32   8.151     82
       3254.15   8.143   1000
       3252.44   8.139    851
       3248.17   8.128     31
       3006.96   7.524    739
       3005.25   7.520    879
       3002.93   7.514     92
       2999.39   7.506    819
       2998.90   7.504    789
       2997.56   7.501    933
       2950.68   7.384     38
       2947.88   7.377    403
       2946.04   7.372    459
       2943.97   7.367     95
       2940.43   7.358    962
       2938.60   7.353    883
       2932.86   7.339    762
       2930.91   7.334    699
       2928.59   7.328    802
       2926.88   7.324    817
       2920.65   7.309    793
       2919.07   7.305    796
       2913.21   7.290    396
       2911.62   7.286    348
    

in CDCl3

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liquid film

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4880 A,100M,liquid

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