5532-75-2

2,6-Dibromo-4-bromomethyl-phenol(5532-75-2) MS

Product Name2,6-Dibromo-4-bromomethyl-phenol

CAS 5532-75-2

Molecular FormulaC7H5Br3O

Molecular Weight344.83

InChIInChI=1S/C7H5Br3O/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2,11H,3H2

InChIKey VAYGTMNZLZAUDL-UHFFFAOYSA-N

SmilesC1(O)=C(Br)C=C(CBr)C=C1Br

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2,6-Dibromo-4-bromomethyl-phenol(5532-75-2) MS
Mass

MS-NW-8166          
2,6-dibromo-4-(bromomethyl)phenol
C7H5Br3O            (Mass of molecular ion:    342)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       4.4
      26.0       1.1
      27.0       1.2
      28.0       1.4
      37.0       3.4
      38.0       9.2
      39.0       2.3
      49.0       3.4
      50.0      30.5
      51.0      23.3
      52.0       3.1
      53.0      13.8
      61.0       2.0
      62.0       2.8
      63.0       1.6
      73.0       2.0
      74.0      11.2
      75.0      39.2
      76.0      29.9
      77.0      11.8
      77.5       1.3
      78.0       7.3
      78.5       1.3
      79.0      12.4
      80.0      30.3
      81.0      11.1
      82.0      29.6
      91.5       1.4
      92.0       1.3
      92.5       1.5
      93.0       1.2
      94.0       1.2
     104.0       1.2
     105.0       4.7
     107.0       1.0
     117.0       2.4
     118.0       4.0
     119.0       2.1
     128.0       1.0
     129.0       2.3
     130.0       2.1
     131.0       3.1
     131.5       4.3
     132.0       2.4
     132.5       8.2
     133.0       1.5
     133.5       4.1
     154.0       1.1
     155.0      27.2
     156.0       7.0
     157.0      26.6
     158.0       6.0
     172.0       1.0
     183.0      20.2
     184.0       4.4
     185.0      20.8
     186.0       4.4
     187.0       1.0
     234.0       2.8
     236.0       5.5
     238.0       2.7
     262.0      31.7
     263.0      51.9
     264.0      66.4
     265.0     100.0
     266.0      38.8
     267.0      49.0
     268.0       4.4
     279.0       1.1
     280.0       1.2
     282.0       1.0
     342.0       5.3
     343.0       1.0
     344.0      13.4
     345.0       1.6
     346.0      12.5
     347.0       1.2
     348.0       4.0

90 MHz in CDCl3

2,6-Dibromo-4-bromomethyl-phenol(5532-75-2) MS

¹H NMR	89.56 MHz
C₇ H₅ Br₃ O	0.048 g : 0.5 ml CDCl₃
2,6-dibromo-4-(bromomethyl)phenol

    Assign.     Shift(ppm)

      A             7.488
      B             5.9
      C             4.363
     
     J(A,C)=-0.4HZ.

     Hz     ppm     Int.

    670.69   7.489   1000
    532.13   5.942     30
    390.88   4.365    805

in CDCl3

CCl4 solution

KBr disc

nujol mull

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