3,5-Dinitrobenzoyl chloride(99-33-2) IR2

Product Name3,5-Dinitrobenzoyl chloride

CAS 99-33-2

Molecular FormulaC7H3ClN2O5

Molecular Weight230.56

InChIInChI=1S/C7H3ClN2O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H

InChIKey NNOHXABAQAGKRZ-UHFFFAOYSA-N

SmilesC(Cl)(=O)C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1

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IR1

IR2

Mass

MS-IW-3412          
3,5-dinitrobenzoyl chloride
C7H3ClN2O5          (Mass of molecular ion:    230)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      28.0       1.0
      30.0       3.3
      35.0       1.7
      36.0      12.0
      37.0       1.6
      38.0       4.0
      50.0       2.5
      51.0       1.1
      61.0       1.2
      62.0       1.8
      63.0       3.8
      73.0       2.5
      74.0      14.2
      75.0      34.7
      76.0       3.9
      78.0       1.2
      91.0       2.2
     101.0       1.2
     103.0       9.8
     104.0       2.9
     106.0       2.0
     110.0       1.3
     119.0       1.9
     120.0       2.0
     137.0       3.6
     138.0       1.0
     139.0       1.2
     148.0       1.2
     149.0      19.4
     150.0      10.1
     179.0       1.2
     195.0     100.0
     196.0       8.7
     197.0       1.3

KBr disc

nujol mull

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