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Back ChemicalBook Home>CAS DataBase List>341-58-2More Spectrum> 2,2'-Bis(trifluoromethyl)benzidine(341-58-2) IR1

2,2'-Bis(trifluoromethyl)benzidine(341-58-2) IR1

Molecular FormulaC14H10F6N2

Molecular Weight320.23

InChIInChI=1S/C14H10F6N2/c15-13(16,17)11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)14(18,19)20/h1-6H,21-22H2

InChIKey NVKGJHAQGWCWDI-UHFFFAOYSA-N

SmilesC1(C2=CC=C(N)C=C2C(F)(F)F)=CC=C(N)C=C1C(F)(F)F


  • Mass

    MS-IW-7562          
    2,2'-bis(trifluoromethyl)-4,4'-biphenyldiamine
    C14H10F6N2          (Mass of molecular ion:    320)
    

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

         101.5       2.1
         115.5       2.7
         116.0       2.7
         125.0       2.3
         160.0       9.3
         160.5       1.4
         182.0       1.0
         203.0       1.8
         204.0       2.5
         211.0       2.0
         230.0       1.2
         231.0       4.2
         232.0       3.2
         250.0       1.7
         253.0       2.1
         279.0       1.0
         281.0       1.4
         299.0       1.2
         301.0       2.5
         319.0       4.4
         320.0     100.0
         321.0      15.8
         322.0       1.2
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C14 H10 F6 N2 0.042 g : 0.5 ml DMSO-d6
    2,2'-bis(trifluoromethyl)-4,4'-biphenyldiamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.927 B 6.886 C 6.746 D 5.56

         Hz     ppm     Int.
    

       2769.65   6.931    627
       2767.33   6.925    654
       2756.96   6.899    287
       2748.66   6.878    374
       2701.05   6.759    331
       2698.73   6.753    318
       2692.75   6.738    259
       2690.43   6.732    255
       2223.75   5.565   1000
    

in DMSO-d6



KBr disc



nujol mull



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