10387-13-0

9,10-Bis(chloromethyl)anthracene(10387-13-0) IR2

Product Name9,10-Bis(chloromethyl)anthracene

CAS 10387-13-0

Molecular FormulaC16H12Cl2

Molecular Weight275.17

InChIInChI=1S/C16H12Cl2/c17-9-15-11-5-1-2-6-12(11)16(10-18)14-8-4-3-7-13(14)15/h1-8H,9-10H2

InChIKey UOSROERWQJTVNU-UHFFFAOYSA-N

SmilesC1=C2C(C(CCl)=C3C(=C2CCl)C=CC=C3)=CC=C1

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9,10-Bis(chloromethyl)anthracene(10387-13-0) IR2
Mass

MS-NW-9414          
9,10-bis(chloromethyl)anthracene
C16H12Cl2           (Mass of molecular ion:    274)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      17.0       1.2
      18.0       6.4
      36.0       6.7
      38.0       2.2
      39.0       1.3
      50.0       1.2
      51.0       1.9
      62.0       1.1
      63.0       3.0
      74.0       1.8
      75.0       4.4
      76.0       6.6
      77.0       1.0
      87.0       3.2
      87.5       1.0
      88.0      12.3
      88.5       1.9
      89.0       8.5
      89.5       1.2
      91.0       2.3
      92.0       1.6
      94.5       1.8
      99.0       1.3
     100.0       8.6
     100.5       4.0
     101.0      28.3
     101.5       7.2
     102.0       7.8
     102.5       1.2
     119.0       2.5
     119.5       1.1
     126.0       1.0
     150.0       2.6
     151.0       2.4
     152.0       2.3
     163.0       1.6
     165.0       1.2
     174.0       1.5
     175.0       1.7
     176.0       4.8
     177.0       1.7
     178.0       2.5
     187.0       1.3
     188.0       1.0
     189.0       4.3
     191.0       1.1
     199.0       1.3
     200.0       9.9
     201.0      10.3
     202.0      50.7
     203.0      49.4
     204.0     100.0
     205.0      17.1
     206.0       1.7
     238.0       3.2
     239.0      58.3
     240.0      11.2
     241.0      19.7
     242.0       3.3
     274.0      18.1
     275.0       3.2
     276.0      11.9
     277.0       2.1
     278.0       2.0

400 MHz in DMSO-d6

9,10-Bis(chloromethyl)anthracene(10387-13-0) IR2

¹H NMR	399.65 MHz
C₁₆ H₁₂ Cl₂	saturated in DMSO-d₆
9,10-bis(chloromethyl)anthracene

    Assign.     Shift(ppm)

      A             8.522
      B             7.726
      C             5.880

     Hz     ppm     Int.

   3415.28   8.546     41
   3414.06   8.543     51
   3411.38   8.536    373
   3408.20   8.528    288
   3404.54   8.519    287
   3401.25   8.511    419
   3398.56   8.504     66
   3397.46   8.502     51
   3096.68   7.749     46
   3095.58   7.746     60
   3092.90   7.740    428
   3089.60   7.731    326
   3085.94   7.722    326
   3082.76   7.714    428
   3080.08   7.707     62
   3078.98   7.705     44
   2350.22   5.881   1000

in DMSO-d6