6602-54-6

2-Chloro-3-cyanopyridine(6602-54-6) MS

Product Name2-Chloro-3-cyanopyridine

CAS 6602-54-6

Molecular FormulaC6H3ClN2

Molecular Weight138.55

InChIInChI=1S/C6H3ClN2/c7-6-5(4-8)2-1-3-9-6/h1-3H

InChIKey JAUPUQRPBNDMDT-UHFFFAOYSA-N

SmilesC1(Cl)=NC=CC=C1C#N

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2-Chloro-3-cyanopyridine(6602-54-6) MS
Mass

MS-IW-7212          
2-chloro-3-pyridinecarbonitrile
C6H3ClN2            (Mass of molecular ion:    138)

   Source Temperature: 120 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      26.0       2.5
      28.0       2.0
      37.0       1.7
      38.0       2.1
      39.0       1.0
      49.0       2.0
      50.0       6.8
      51.0       5.8
      52.0       2.7
      62.0       1.5
      69.0       2.1
      74.0       1.0
      75.0       8.2
      76.0      23.2
      77.0       4.1
      85.0       2.2
      87.0       1.1
     101.0       1.2
     103.0     100.0
     104.0       7.4
     138.0      98.8
     139.0       8.4
     140.0      32.2
     141.0       2.7

400 MHz in CDCl3

2-Chloro-3-cyanopyridine(6602-54-6) MS

¹H NMR	399.65 MHz
C₆ H₃ Cl N₂	0.039 g : 0.5 ml CDCl₃
2-chloro-3-pyridinecarbonitrile

    Assign.     Shift(ppm)

      A             8.636
      B             8.052
      C             7.435

     Hz     ppm     Int.

   3454.83   8.645    398
   3452.88   8.640    427
   3449.83   8.633    424
   3448.00   8.628    421
   3223.02   8.065    852
   3221.07   8.060    871
   3218.38   8.053     39
   3215.33   8.046   1000
   3213.38   8.041    973
   2977.54   7.451    825
   2972.66   7.439    840
   2969.85   7.432    813
   2964.97   7.419    785

in CDCl3