628-20-6

4-Chlorobutyronitrile(628-20-6) IR1

Product Name4-Chlorobutyronitrile

CAS 628-20-6

Molecular FormulaC4H6ClN

Molecular Weight103.55

InChIInChI=1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2

InChIKey ZFCFBWSVQWGOJJ-UHFFFAOYSA-N

SmilesC(#N)CCCCl

Request For Quotation

4-Chlorobutyronitrile(628-20-6) IR1
Mass

MS-NW-4982          
4-chlorobutyronitrile
C4H6ClN             (Mass of molecular ion:    103)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.0
      26.0       3.4
      27.0      24.0
      28.0       4.7
      36.0       1.1
      37.0       1.6
      38.0       2.4
      39.0       7.4
      40.0       4.7
      41.0     100.0
      42.0       3.5
      49.0       8.3
      51.0       2.9
      52.0       2.1
      54.0      17.1
      63.0      12.3
      64.0       1.3
      65.0       3.9
      66.0       3.1
      67.0       4.7
      68.0       2.2

90 MHz in CDCl3

4-Chlorobutyronitrile(628-20-6) IR1

¹H NMR	89.56 MHz
C₄ H₆ Cl N	0.02 ml : 0.5 ml CDCl₃
4-chlorobutyronitrile

    Assign.     Shift(ppm)

      A             2.13
      B             2.567
      C             3.667

     Hz     ppm     Int.

    334.88   3.740    738
    329.00   3.674   1000
    322.94   3.606    939
    239.00   2.669    314
    237.69   2.654    301
    232.19   2.593    330
    231.50   2.585    487
    230.88   2.578    940
    224.94   2.512    623
    224.06   2.502    645
    203.44   2.272    151
    202.25   2.259    160
    196.75   2.197    478
    195.75   2.186    179
    194.94   2.177    134
    194.00   2.167     82
    191.25   2.136    304
    190.50   2.128    457
    188.75   2.108    214
    184.50   2.061    257
    182.19   2.035    162
    177.81   1.986     75
    176.38   1.970     75

in CDCl3