2-Chloro-5-methoxyaniline hydrochloride(85006-21-9) IR2

Product Name2-Chloro-5-methoxyaniline hydrochloride

CAS 85006-21-9

Molecular FormulaC7H9Cl2NO

Molecular Weight194.06

InChIInChI=1S/C7H8ClNO.ClH/c1-10-5-2-3-6(8)7(9)4-5;/h2-4H,9H2,1H3;1H

InChIKey NQWBPXKJBZYGHZ-UHFFFAOYSA-N

SmilesNC1=CC(OC)=CC=C1Cl.[H]Cl

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Mass

MS-KW-0182          
6-chloro-m-anisidine hydrochloride
C7H8ClNO HCl        (Mass of molecular ion:    157)

   Source Temperature: 170 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      18.0       3.6
      28.0       3.2
      35.0       2.6
      36.0      36.7
      37.0       1.6
      38.0      13.3
      39.0       2.9
      41.0       1.7
      46.5       1.7
      50.0       1.8
      51.0       7.1
      52.0       5.9
      53.0       1.8
      61.0       1.6
      62.0       2.3
      63.0       4.7
      64.0       2.1
      65.0       4.1
      68.0       1.2
      73.0       2.1
      75.0       1.3
      76.0       1.1
      77.0       1.3
      78.0       6.4
      78.5       4.0
      79.0       3.7
      79.5       1.3
      87.0       2.9
      89.0       1.4
      90.0       4.2
      91.0       2.2
      92.0       5.1
      93.0      12.2
      94.0       9.3
      95.0       1.3
      99.0       1.7
     100.0       1.4
     106.0       1.0
     114.0      22.3
     115.0       1.6
     116.0       7.4
     122.0       2.0
     126.0       1.7
     127.0      20.2
     128.0      21.2
     129.0      12.2
     130.0       7.2
     131.0       2.1
     142.0       1.5
     156.0       5.7
     157.0     100.0
     158.0       9.9
     159.0      31.8
     160.0       2.6

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₈ Cl N O	0.037 g : 0.5 ml DMSO-d₆
6-chloro-m-anisidine hydrochloride

    Assign.     Shift(ppm)

      A             9.65
      B             7.374
      C             7.081
      D             6.738
      E             3.744

     Hz     ppm     Int.

   3857.73   9.653     83
   2951.66   7.386    192
   2942.81   7.364    206
   2831.42   7.085    147
   2828.37   7.078    149
   2698.52   6.753     91
   2695.62   6.745     87
   2689.67   6.731     85
   2686.77   6.723     80
   1496.43   3.745   1000

in DMSO-d6