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Back ChemicalBook Home>CAS DataBase List>99-29-6More Spectrum> 2-BROMO-6-CHLORO-4-NITROANILINE(99-29-6) IR1

2-BROMO-6-CHLORO-4-NITROANILINE(99-29-6) IR1

Molecular FormulaC6H4BrClN2O2

Molecular Weight251.47

InChIInChI=1S/C6H4BrClN2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2

InChIKey GLUCALKKMFBJEB-UHFFFAOYSA-N

SmilesC1(N)=C(Cl)C=C([N+]([O-])=O)C=C1Br


  • Mass

    MS-IW-8381          
    2-bromo-6-chloro-4-nitroaniline
    C6H4BrClN2O2        (Mass of molecular ion:    250)
    

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

          28.0       2.3
          30.0       3.5
          37.0       2.4
          38.0       2.3
          39.0       2.4
          44.5       3.1
          49.0       1.1
          50.0       1.7
          51.0       2.2
          52.0      11.3
          53.0       1.1
          60.0       1.2
          61.0       7.9
          62.0      13.7
          62.5       1.5
          63.0      13.3
          64.0       2.1
          65.0       4.4
          73.0       3.5
          74.0       2.5
          75.0       2.8
          76.0       2.3
          77.0       1.2
          78.0       3.5
          86.0       1.8
          87.0       1.8
          88.0       4.1
          89.0      12.1
          90.0      20.1
          91.0       1.6
          96.0       1.1
          97.0       5.3
          98.0       3.3
          99.0       2.4
         100.0       1.2
         112.0       1.1
         113.0       1.6
         117.0       1.1
         119.0       1.4
         124.0      38.3
         125.0      21.3
         126.0      13.2
         127.0       7.1
         140.0       1.0
         141.0       2.6
         142.0       1.0
         143.0       2.1
         168.0      15.9
         169.0       2.3
         170.0      15.8
         171.0       2.4
         177.0       8.4
         179.0      10.9
         181.0       2.6
         192.0       4.5
         194.0       6.0
         196.0       1.5
         203.0       1.3
         204.0      27.9
         205.0       3.7
         206.0      35.7
         207.0       3.0
         208.0       8.9
         220.0      37.1
         221.0       2.8
         222.0      48.6
         223.0       3.5
         224.0      11.9
         234.0       1.5
         236.0       2.0
         250.0      76.8
         251.0       6.2
         252.0     100.0
         253.0       7.5
         254.0      24.2
         255.0       1.9
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C6 H4 Br Cl N2 O2 0.035 g : 0.5 ml DMSO-d6
    2-bromo-6-chloro-4-nitroaniline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.240 B 8.144 C 6.90

         Hz     ppm     Int.
    

       3294.56   8.244    879
       3292.11   8.238   1000
       3256.23   8.148    980
       3253.66   8.142    890
       2759.16   6.904    655
    

in DMSO-d6



KBr disk



nujol mull



2-BROMO-6-CHLORO-4-NITROANILINE(99-29-6) IR1 Atlas of Related Products

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