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Back ChemicalBook Home>CAS DataBase List>100-44-7More Spectrum> Benzyl chloride(100-44-7) MS

Benzyl chloride(100-44-7) MS

Product NameBenzyl chloride

CAS100-44-7

Molecular FormulaC7H7Cl

Molecular Weight126.58

InChIInChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey KCXMKQUNVWSEMD-UHFFFAOYSA-N

SmilesC1(CCl)=CC=CC=C1


  • Mass

    MS-NW-0069          
    benzyl chloride
    C7H7Cl              (Mass of molecular ion:    126)
    

       Source Temperature: 220 °C
       Sample Temperature:  55 °C
       Reservoir, 75 eV
    

          38.0       1.9
          39.0       6.8
          41.0       1.0
          45.0       1.1
          50.0       2.9
          51.0       3.8
          52.0       1.0
          61.0       1.2
          62.0       2.8
          63.0       7.0
          64.0       1.8
          65.0      10.8
          89.0       5.8
          90.0       2.5
          91.0     100.0
          92.0       7.8
         125.0       2.8
         126.0      24.9
         127.0       2.7
         128.0       7.9
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C7 H7 Cl 0.04 ml : 0.5 ml CDCl3
    benzyl chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.46 to 7.22 B 4.563

         Hz     ppm     Int.
    

        664.63   7.422     34
        664.13   7.416     32
        662.31   7.396     25
        659.38   7.363    229
        657.31   7.340    967
        655.75   7.322    245
        653.13   7.293     59
        650.00   7.258     30
        649.44   7.252     33
        408.69   4.564   1000
    

in CDCl3



CCl4 solution



liquid film



4880 A,200 M,liquid



REACTION WITH NA AT 77K



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