446-08-2

2-Amino-5-fluorobenzoic acid(446-08-2) IR1

Product Name2-Amino-5-fluorobenzoic acid

CAS 446-08-2

Molecular FormulaC7H6FNO2

Molecular Weight155.13

InChIInChI=1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)

InChIKey FPQMGQZTBWIHDN-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC(F)=CC=C1N

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2-Amino-5-fluorobenzoic acid(446-08-2) IR1
Mass

MS-KW-0563          
5-fluoroanthranilic Acid 
C7H6FNO2            (Mass of molecular ion:    155)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.5
      28.0       3.5
      31.0       2.4
      37.0       1.0
      38.0       1.6
      39.0       2.1
      45.0       1.6
      50.0       1.4
      51.0       2.1
      52.0       3.8
      53.0       1.1
      54.5       6.3
      55.0       4.6
      56.0       2.5
      57.0       8.5
      61.0       1.9
      62.0       3.1
      63.0       6.5
      64.0       1.7
      65.0       1.3
      68.0       1.0
      68.5       2.3
      69.0       2.0
      77.5       1.2
      81.0       6.1
      82.0      25.2
      83.0      16.5
      84.0       3.0
      89.0       3.4
      90.0       3.1
      94.0       1.8
     108.0       3.7
     109.0      53.8
     110.0      40.8
     111.0       3.8
     137.0     100.0
     138.0      11.0
     155.0      67.4
     156.0       5.6

400 MHz in DMSO-d6

2-Amino-5-fluorobenzoic acid(446-08-2) IR1

¹H NMR	399.65 MHz
C₇H₆FNO₂	0.040 g : 0.5 ml DMSO-d₆
5-fluoroanthranilic acid

    Assign.     Shift(ppm)

     A           8.6
     B           7.420
     C           7.164
     D           6.796

     Hz     ppm     Int.

   3476.87   8.697     36
   3452.61   8.637     40
   3440.25   8.606     41
   3414.01   8.540     42
   3403.63   8.514     41
   3388.52   8.476     41
   2972.57   7.436    866
   2969.52   7.428    909
   2962.65   7.411    884
   2959.60   7.404    870
   2874.30   7.190    597
   2871.10   7.182    553
   2866.22   7.170    765
   2865.30   7.168    823
   2863.01   7.162    692
   2862.10   7.160    741
   2857.21   7.147    682
   2854.01   7.139    588
   2723.39   6.813    962
   2718.51   6.800   1000
   2714.24   6.790    869
   2709.36   6.778    821

in DMSO-d6