2-Amino-4-chlorophenol(95-85-2) IR1

Product Name2-Amino-4-chlorophenol

CAS 95-85-2

Molecular FormulaC6H6ClNO

Molecular Weight143.57

InChIInChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2

InChIKey SWFNPENEBHAHEB-UHFFFAOYSA-N

SmilesC1(O)=CC=C(Cl)C=C1N

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Mass

MS-NW-3809          
2-amino-4-chlorophenol
C6H6ClNO            (Mass of molecular ion:    143)

   Source Temperature: 270 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      18.0       1.0
      27.0       2.2
      28.0       5.0
      29.0       1.0
      37.0       1.6
      38.0       2.4
      38.5       1.8
      39.0       2.9
      39.5       4.3
      41.0       1.2
      49.0       1.4
      50.0       4.2
      51.0       9.2
      52.0       7.5
      53.0       7.5
      53.5       1.3
      54.0       2.5
      61.0       1.3
      62.0       2.2
      63.0       9.3
      64.0       1.2
      65.0       1.1
      71.5       2.8
      73.0       1.4
      76.0       1.6
      78.0       6.0
      79.0       2.8
      80.0      39.0
      81.0       3.3
      87.0       2.1
      89.0       1.0
      90.0       1.8
      98.0       2.5
     108.0       1.8
     109.0       2.3
     114.0      14.3
     115.0       1.5
     116.0       4.8
     142.0      13.1
     143.0     100.0
     144.0      11.1
     145.0      30.9
     146.0       2.3

90 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₆ H₆ Cl N O	0.039 g : 0.5 ml DMSO-d₆
2-amino-4-chlorophenol

    Assign.     Shift(ppm)

      A             9.2
      B             6.601
      C             6.598
      D             6.386
      E             4.8
     
     J(B,D)=8.3 HZ. J(C,D)=2.5 HZ.

     Hz     ppm     Int.

    822.56   9.185     57
    596.94   6.666    430
    595.19   6.646     51
    592.44   6.616    606
    589.88   6.587    857
    588.63   6.573   1000
    586.50   6.549     76
    584.94   6.532     39
    584.56   6.528     32
    575.63   6.428    591
    573.25   6.401    443
    570.63   6.372     27
    570.25   6.368     28
    567.31   6.335    256
    564.88   6.308    230
    427.69   4.776    118

DMSO-d6