2-Nitro-4-Azidophenylsulfenyl Chloride

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Properties Simple | Detailed

Formula C6H4ClN4O2S
IUPAC Name (4-azido-2-nitro-phenyl) thiohypochlorite
Molecular Mass 231.640 g·mol−1
Heat of Formation 431.7 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 226.87 Å 3
Surface Area 218.21 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -2.32 ± 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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