4-Amino-3-nitrophenol(610-81-1) IR2

Product Name4-Amino-3-nitrophenol

CAS 610-81-1

Molecular FormulaC6H6N2O3

Molecular Weight154.12

InChIInChI=1S/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2

InChIKey IQXUIDYRTHQTET-UHFFFAOYSA-N

SmilesC1(O)=CC=C(N)C([N+]([O-])=O)=C1

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4-Amino-3-nitrophenol(610-81-1) IR2
Mass

MS-KW-0093          
4-amino-3-nitrophenol
C6H6N2O3            (Mass of molecular ion:    154)

   Source Temperature: 130 °C
   Sample Temperature: 110 °C
   Direct, 75 eV

      18.0       2.8
      27.0       1.7
      28.0       3.5
      39.0       2.7
      40.0       1.0
      41.0       1.2
      50.0       1.1
      51.0       3.0
      52.0      10.0
      53.0      10.3
      53.5       1.4
      54.0       3.0
      55.0       1.4
      63.0       2.5
      65.0       1.0
      67.0       1.4
      68.0      17.1
      77.0       1.7
      78.0       1.2
      79.0       2.3
      80.0       5.8
      81.0      11.2
      90.0       1.3
      91.0       1.2
      96.0       2.2
     107.0       3.4
     108.0      40.1
     109.0       3.1
     124.0       1.8
     137.0       1.1
     154.0     100.0
     155.0       7.8

400 MHz in DMSO-d6

4-Amino-3-nitrophenol(610-81-1) IR2

¹H NMR	399.65 MHz
C₆ H₆ N₂ O₃	0.035 g : 0.5 ml DMSO-d₆
4-amino-3-nitrophenol

    Assign.     Shift(ppm)

      A             9.31
      B             7.330
      C             7.08
      D             7.047
      E             6.954

     Hz     ppm     Int.

   3720.25   9.309   1000
   2931.21   7.335    408
   2928.31   7.328    412
   2829.59   7.081    404
   2823.03   7.064    237
   2820.28   7.057    203
   2814.03   7.042    306
   2811.13   7.034    291
   2782.44   6.963    478
   2773.44   6.940    309

in CDCl3