Product Name3-METHYLBENZIDINEDIHYDROCHLORIDE

CAS

Molecular FormulaC13H16Cl2N2

Molecular Weight271.18554

InChIInChI=1S/C13H14N2.2ClH/c1-9-8-11(4-7-13(9)15)10-2-5-12(14)6-3-10;;/h2-8H,14-15H2,1H3;2*1H

InChIKey LDVSFOPUKPVGGO-UHFFFAOYSA-N

SmilesNC1=CC=C(C2=CC=C(N)C=C2)C=C1C.[H]Cl.[H]Cl

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Mass

MS-NW-2325          
3-methylbenzidine dihydrochloride
C13H14N2 2HCl       (Mass of molecular ion:    198)

   Source Temperature: 210 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       2.7
      28.0       1.2
      35.0       1.5
      36.0      14.1
      38.0       4.6
      65.0       1.0
      77.0       1.7
      90.0       1.1
      91.0       1.4
      93.0       1.2
      97.5       1.0
      98.0       2.2
      98.5       2.7
      99.0       6.3
      99.5       1.0
     106.0       2.2
     115.0       1.1
     128.0       1.0
     130.0       1.5
     152.0       1.5
     153.0       1.2
     154.0       1.5
     156.0       1.3
     167.0       1.4
     168.0       1.2
     169.0       1.1
     170.0       1.9
     180.0       5.7
     181.0       3.2
     182.0       3.4
     183.0       1.4
     184.0       3.2
     195.0       1.7
     196.0       1.9
     197.0      15.9
     198.0     100.0
     199.0      14.7
     200.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₄ N₂	0.039 g : 0.5 ml DMSO-d₆
3-methylbenzidine dihydrochloride

    Assign.     Shift(ppm)

      A            10.4
      B             7.78
      C             7.652
      D             7.59
      E             7.508
      F             2.473

     Hz     ppm     Int.

   3113.10   7.790    367
   3104.49   7.769    449
   3058.33   7.653    239
   3040.93   7.609     38
   3032.50   7.588    516
   3023.90   7.567     35
   3022.25   7.563     38
   3007.96   7.527    102
   3005.40   7.521    397
   2998.80   7.504    149
   2996.97   7.499    357
    988.37   2.474   1000

in DMSO-d6

KBr disc

nujol mull

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