2,4-Dinitrobenzenesulfenyl Chloride

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Properties Simple | Detailed

Formula C6H3ClN2O4S
IUPAC Name (2,4-dinitrophenyl) thiohypochlorite
Molecular Mass 234.617 g·mol−1
Heat of Formation 97.8 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 221.96 Å 3
Surface Area 210.2 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy -2.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dinitrobenzenesulphenyl chloride
  • 2,4-dinitrophenylsulfenyl chloride
  • benzenesulfenyl chloride, 2,4-dinitro-
  • kharasch reagent
  • thiohypochlorous acid (2,4-dinitrophenyl) ester
CAS Number(s)
  • 528-76-7
InChIKey GPXDNWQSQHFKRB-UHFFFAOYSA-N
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