Bitoscanate

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Properties Simple | Detailed

Formula C8H4N2S2
IUPAC Name 1,4-diisothiocyanatobenzene
Molecular Mass 192.261 g·mol−1
Heat of Formation 420.8 ± 16.7 kJ·mol−1
Dipole Moment 0.21 ± 1.08 D
Volume 219.38 Å 3
Surface Area 220.73 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.78 ± eV
Point Group Symmetry Cs
Synonyms
  • 1,4-phenylen-diisothiocyanat
  • benzene, 1,4-diisothiocyanato-
  • bitoscanato [spanish]
  • bitoscanatum [latin]
  • hoe 16842
  • isothiocyanic acid p-phenylene ester
  • isothiocyanic acid, 1,4-phenylenedi-
  • jonit
  • p-phenylene bis(isothiocyanate)
  • p-phenylene diisothiocyanate
  • pditc
  • phenylene thiocyanate
  • phenylene-1,4-diisothiocyanate
  • wm 842
CAS Number(s)
  • 4044-65-9
InChIKey OMWQUXGVXQELIX-UHFFFAOYSA-N
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