Clioquinol(130-26-7) IR1

Product NameClioquinol

CAS 130-26-7

Molecular FormulaC9H5ClINO

Molecular Weight305.5

InChIInChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

InChIKey QCDFBFJGMNKBDO-UHFFFAOYSA-N

SmilesN1C2C(=C(Cl)C=C(I)C=2O)C=CC=1

Request For Quotation

Mass

MS-NW-0327          
5-chloro-7-iodo-8-quinolinol
C9H5ClINO           (Mass of molecular ion:    305)

   Source Temperature: 150 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      28.0       1.0
      37.0       1.2
      38.0       1.4
      39.0       2.4
      50.0       1.6
      51.0       1.0
      52.0       1.0
      53.0       1.1
      57.5       4.3
      61.0       3.3
      62.0       6.3
      63.0       5.7
      64.0       1.5
      73.0       2.0
      74.0       1.5
      75.0       5.9
      76.0       2.3
      85.0       1.4
      86.0       3.1
      87.0       6.3
      88.0       6.4
      89.0       2.2
      97.0       1.4
     114.0       9.1
     115.0      17.2
     116.0       1.8
     121.0       1.3
     123.0       7.2
     124.0       1.5
     125.0       2.4
     127.0       1.9
     138.5       3.8
     139.5       1.2
     143.0       1.4
     149.0       2.6
     150.0      36.5
     151.0       4.2
     152.0      11.7
     152.5       3.3
     153.0       1.2
     153.5       1.1
     178.0       6.0
     179.0       1.6
     180.0       2.0
     242.0       2.0
     277.0       4.6
     279.0       1.5
     305.0     100.0
     306.0      10.3
     307.0      32.5
     308.0       3.4
     397.0       6.6

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₉ H₅ Cl I N O	0.050 g : 0.5 ml DMSO-d₆
5-chloro-7-iodo-8-quinolinol

    Assign.     Shift(ppm)

      A             8.989
      B             8.484
      C             7.997
      D             7.783
     
     OH-PEAK SPREAD IN THE BASE LINE.

     Hz     ppm     Int.

    811.28   9.059     31
    808.11   9.024    238
    806.64   9.007    270
    803.96   8.977    271
    802.37   8.960    270
    798.46   8.916     40
    765.50   8.548    233
    763.92   8.530    232
    761.72   8.506     33
    761.23   8.500     31
    759.77   8.484     35
    756.96   8.452    312
    755.37   8.435    279
    716.31   7.999   1000
    706.54   7.890     32
    706.18   7.885     31
    705.57   7.879     31
    703.00   7.850    299
    698.85   7.804    293
    694.46   7.755    244
    690.31   7.708    232
    687.87   7.681     30
    686.89   7.670     38

in DMSO-d6