2,2'-Sulfanediylbis(4-Chloro-6-Nitrophenol)

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Properties Simple | Detailed

Formula C12H6Cl2N2O6S
IUPAC Name 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)sulfanyl-6-nitrophenol
Molecular Mass 377.157 g·mol−1
Heat of Formation 884.2 ± 16.7 kJ·mol−1
Dipole Moment 6.74 ± 1.08 D
Volume 336.34 Å 3
Surface Area 309.61 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -3.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2'-thiobis(4-chloro-6-nitrophenol)
  • 4-chloro-2-(5-chloro-2-hydroxy-3-nitro-phenyl)sulfanyl-6-nitro-phenol
  • 4-chloro-2-(5-chloro-2-hydroxy-3-nitrophenyl)sulfanyl-6-nitrophenol
  • 4-chloro-2-[(5-chloro-2-hydroxy-3-nitro-phenyl)thio]-6-nitro-phenol
  • 4-chloro-2-[(5-chloro-2-hydroxy-3-nitrophenyl)thio]-6-nitrophenol
  • bis(2-hydroxy-3-nitro-5-chlorophenyl)sulfide
  • ccris 5742
  • einecs 212-708-9
  • oxynide
CAS Number(s)
  • 852-20-0
InChIKey ZAOJWJAARUYTMA-UHFFFAOYSA-N
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