7581-97-7

2,3-Dichlorobutane(7581-97-7) IR1

Product Name2,3-Dichlorobutane

CAS 7581-97-7

Molecular FormulaC4H8Cl2

Molecular Weight127.01

InChIInChI=1S/C4H8Cl2/c1-3(5)4(2)6/h3-4H,1-2H3

InChIKey RMISVOPUIFJTEO-UHFFFAOYSA-N

SmilesCC(Cl)C(Cl)C

Request For Quotation

2,3-Dichlorobutane(7581-97-7) IR1
Mass

MS-NW-4364          
2,3-dichlorobutane
C4H8Cl2             (Mass of molecular ion:    126)

   Source Temperature: 230 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.2
      26.0       5.4
      27.0      40.4
      28.0       3.5
      29.0      10.7
      36.0       1.9
      37.0       1.5
      38.0       2.5
      39.0      16.4
      40.0       1.4
      41.0       7.9
      43.0       1.2
      49.0       4.6
      50.0       4.0
      51.0       4.1
      52.0       1.2
      53.0       8.1
      54.0       2.6
      55.0      44.2
      56.0       4.3
      61.0       2.6
      62.0      98.7
      63.0     100.0
      64.0      33.7
      65.0      35.4
      75.0       9.2
      77.0       3.0
      83.0       1.1
      89.0       5.3
      90.0      29.3
      91.0       9.3
      92.0      10.0
      93.0       2.8
      96.0       1.3
      97.0       3.5
      99.0       2.3
     125.0       1.4
     126.0       1.8
     127.0       1.0
     128.0       1.1

400 MHz in CDCl3

2,3-Dichlorobutane(7581-97-7) IR1

¹H NMR	399.65 MHz
C₄ H₈ Cl₂	0.05 ml : 0.5 ml CDCl₃
2,3-dichlorobutane

    Assign.     Shift(ppm)

      A             4.214
      A             4.065
      B             1.610
      B             1.567
     
     MIXTURE OF ROTATIONAL ISOMERS.

     Hz     ppm     Int.

   1692.87   4.236     54
   1689.58   4.228     56
   1688.84   4.226     51
   1687.62   4.223    110
   1686.28   4.220    100
   1682.25   4.210    103
   1680.91   4.206    108
   1679.69   4.203     49
   1678.96   4.202     52
   1675.66   4.193     52
   1634.52   4.090     46
   1632.57   4.085    147
   1629.88   4.079     89
   1628.05   4.074    216
   1626.22   4.070    217
   1623.54   4.063    216
   1621.70   4.058    212
   1619.87   4.054     83
   1617.19   4.047    144
    656.37   1.643     55
    652.34   1.633    187
    647.71   1.621   1000
    645.75   1.616    533
    642.94   1.609    559
    641.24   1.605    920
    636.35   1.593    140
    634.52   1.588     50
    631.23   1.580    154
    629.03   1.574    593
    628.05   1.572    297
    623.66   1.561    292
    622.56   1.558    580
    620.36   1.553    144

in CDCl3