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51546-12-4

2-Chloro-5-methylsulfanylbenzoic acid

Product Name 2-Chloro-5-methylsulfanylbenzoic acid

CAS51546-12-4

MFC8H7ClO2S

MW202.66

  • 51546-12-4_ms_1
    Mass

    MS-NW-8261          
    2-chloro-5-(methylthio)benzoic acid
    C8H7ClO2S           (Mass of molecular ion:    202)
    

       Source Temperature: 160 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          18.0       4.4
          28.0       1.3
          39.0       1.2
          45.0      10.6
          46.0       1.7
          47.0       2.1
          50.0       2.3
          51.0       1.6
          53.0       1.1
          61.0       1.5
          62.0       2.4
          63.0       6.4
          69.0       4.5
          71.0       1.1
          72.0       1.7
          73.0       2.2
          74.0       4.1
          75.0       5.3
          77.0       3.4
          81.0       1.1
          82.0       1.4
          83.0       1.3
          83.5       1.4
          84.0       1.0
          92.0       2.1
          93.0       1.1
          95.0       2.0
          97.0       1.1
          99.0       3.4
         101.0       2.1
         105.0       1.1
         106.0       1.7
         107.0       4.6
         108.0       5.9
         109.0       1.2
         110.0       1.5
         111.0       1.5
         112.0       1.0
         121.0       5.9
         122.0       3.8
         123.0       2.6
         125.0       1.0
         131.0       1.1
         133.0       1.6
         138.0       1.2
         139.0       4.9
         141.0       2.0
         142.0       4.1
         143.0       2.0
         144.0       1.6
         151.0       5.3
         155.0       1.6
         156.0       3.2
         157.0       6.6
         158.0       1.8
         159.0       2.8
         167.0       1.9
         169.0       4.5
         171.0       3.0
         185.0      10.9
         186.0       1.1
         187.0      14.4
         188.0       1.4
         189.0       4.1
         202.0     100.0
         203.0       9.9
         204.0      37.4
         205.0       3.6
         206.0       1.7
    

400 MHz in CDCl3

  • 51546-12-4_1hnmr_1

    1H NMR 399.65 MHz
    C8 H7 Cl O2 S 0.036 g : 0.5 ml CDCl3
    2-chloro-5-(methylthio)benzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10. B 7.853 C 7.382 D 7.330 E 2.510

         Hz     ppm     Int.
    

       3139.80   7.857    161
       3137.51   7.851    165
       2955.93   7.397     92
       2947.54   7.376    182
       2933.65   7.341    105
       2931.37   7.335    104
       2925.26   7.320     56
       2922.82   7.314     56
       1003.27   2.511   1000
    

in CDCl3

  • 51546-12-4_13cnmr_1

KBr disc

  • 51546-12-4_ir1_2

nujol mull

  • 51546-12-4_ir2_1