2,4-Dichlorobenzyl Thiocyanate

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Properties Simple | Detailed

Formula C8H5Cl2NS
IUPAC Name (2,4-dichlorophenyl)methyl thiocyanate
Molecular Mass 218.103 g·mol−1
Heat of Formation 149.6 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 230.18 Å 3
Surface Area 218.62 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dcbt
  • 2,4-dichloro-1-(thiocyanatomethyl)benzene
  • thiocyanic acid, (2,4-dichlorophenyl)methyl ester
  • thiocyanic acid, 2,4-dichlorobenzyl ester
CAS Number(s)
  • 7534-61-4
InChIKey JLSPXOVSIVYMCY-UHFFFAOYSA-N
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Elements H S N C Cl