2,4-DINITROBENZENESULFONYL CHLORIDE(1656-44-6) IR1

Product Name2,4-DINITROBENZENESULFONYL CHLORIDE

CAS 1656-44-6

Molecular FormulaC6H3ClN2O6S

Molecular Weight266.62

InChIInChI=1S/C6H3ClN2O6S/c7-16(14,15)6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H

InChIKey SSFSNKZUKDBPIT-UHFFFAOYSA-N

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

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Mass

MS-NW-6488          
2,4-dinitrobenzenesulfonyl chloride
C6H3ClN2O6S         (Mass of molecular ion:    266)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      17.0       1.5
      18.0       7.3
      28.0       3.8
      30.0      45.0
      36.0       3.0
      37.0       2.1
      38.0       5.1
      39.0       2.4
      45.0       1.9
      46.0       4.6
      48.0       7.7
      49.0       1.1
      50.0       4.1
      51.0       3.8
      53.0       2.9
      61.0       1.8
      62.0       5.8
      63.0      15.1
      64.0      20.7
      66.0       1.0
      69.0       1.6
      73.0       3.0
      74.0      21.0
      75.0      35.2
      76.0       4.9
      77.0       3.0
      79.0       8.9
      84.0       1.8
      86.0       1.1
      91.0       2.8
      92.0       1.2
      93.0       6.4
      98.0       1.5
     107.0       1.8
     109.0       7.2
     110.0       9.0
     111.0       3.4
     112.0       3.2
     126.0       2.5
     140.0       1.2
     156.0       1.2
     168.0       2.3
     202.0      10.7
     204.0       4.1
     214.0       1.9
     231.0     100.0
     232.0       8.3
     233.0       6.2
     266.0       2.7
     268.0       1.2
     288.0       3.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₃ Cl N₂ O₆ S	0.046 g : 0.5 ml CDCl₃
2,4-dinitrobenzenesulfonyl chloride

    Assign.     Shift(ppm)

      A             8.70
      B             8.66
      C             8.51
     
     J(A,B)=2.0HZ. J(B,C)=9.1HZ.

     Hz     ppm     Int.

    783.13   8.745     59
    781.13   8.722    390
    780.00   8.710    562
    777.94   8.687    552
    775.94   8.664     44
    774.00   8.643    705
    771.88   8.619    408
    770.00   8.598     31
    769.63   8.594     30
    765.31   8.546   1000
    762.88   8.519     37
    762.13   8.510     69
    759.25   8.478     66
    756.06   8.442    308

in CDCl3

KBr disc

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