4186-54-3

2,4-二溴-6-溴甲基苯酚(4186-54-3)红外图谱(IR3)

产品名称:2,4-二溴-6-溴甲基苯酚

CAS:4186-54-3

分子式:C7H5Br3O

分子量: 344.83

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

InChIKey: SPUZPJKEJXIRSF-UHFFFAOYSA-N

Smiles:C1(O)=C(CBr)C=C(Br)C=C1Br

Mass

MS-NW-0191          
2,4-dibromo-6-(bromomethyl)phenol
C7H5Br3O            (Mass of molecular ion:    342)

   Source Temperature: 200 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      26.0       2.3
      27.0       2.6
      29.0       1.8
      37.0       6.5
      38.0      12.2
      39.0       3.5
      49.0       5.1
      50.0      27.8
      51.0      24.1
      52.0       2.7
      53.0      12.0
      55.0       1.3
      61.0       3.8
      62.0       4.8
      63.0       3.1
      66.0       1.0
      73.0       4.1
      74.0      16.6
      75.0      30.4
      76.0      23.9
      77.0      22.2
      77.5       1.1
      78.0       4.7
      78.5       1.1
      79.0       5.6
      80.0       5.6
      81.0       5.5
      82.0       5.7
      85.0       1.1
      86.0       1.6
      87.0       1.4
      92.0       1.3
      93.0       1.2
     103.0       1.1
     105.0       4.2
     116.0       1.0
     117.0       2.6
     118.0       3.7
     119.0       2.3
     128.0       1.1
     129.0       2.1
     130.0       1.3
     131.0       2.6
     131.5       1.9
     132.0       1.3
     132.5       3.6
     133.0       1.1
     133.5       1.7
     154.0       1.1
     155.0      13.2
     156.0      25.7
     157.0      14.0
     158.0      24.2
     159.0       1.9
     183.0       8.3
     184.0       4.7
     185.0       9.2
     186.0       4.5
     187.0       1.4
     234.0       1.8
     235.0       1.7
     236.0       3.7
     237.0       2.8
     238.0       2.0
     239.0       1.4
     262.0       4.0
     263.0      51.5
     264.0      12.5
     265.0     100.0
     266.0      13.3
     267.0      49.1
     268.0       4.9
     342.0       5.6
     343.0       1.0
     344.0      15.6
     345.0       1.7
     346.0      15.0
     347.0       1.4
     348.0       5.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₅ Br₃ O	0.046 g : 0.5 ml CDCl₃
2,4-dibromo-6-(bromomethyl)phenol

    Assign.     Shift(ppm)

      A             7.556
      B             7.408
      C             5.81
      D             4.495
     
     J(A,B)=2.3HZ.

     Hz     ppm     Int.

    678.00   7.571    278
    675.69   7.545    386
    664.44   7.419    297
    662.13   7.394    215
    519.63   5.803     61
    402.63   4.496   1000

in CDCl3