2-Nitro-4-Azidophenylsulfenyl Chloride

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Properties Simple | Detailed

Formula C6H3ClN4O2S
IUPAC Name (4-azido-2-nitro-phenyl) thiohypochlorite
Molecular Mass 230.632 g·mol−1
Heat of Formation 417.9 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 230.42 Å 3
Surface Area 219.76 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (4-azido-2-nitrophenyl) thiohypochlorite
  • benzenesulfenyl chloride, 4-azido-2-nitro-
  • thiohypochlorous acid (4-azido-2-nitro-phenyl) ester
CAS Number(s)
  • 66365-13-7
InChIKey BBYBSUDFBPGJNB-UHFFFAOYSA-N
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