2,4-Dinitrophenyl Thiocyanate

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Properties Simple | Detailed

Formula C7H3N3O4S
IUPAC Name (2,4-dinitrophenyl) thiocyanate
Molecular Mass 225.181 g·mol−1
Heat of Formation 254.2 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 225.91 Å 3
Surface Area 215.29 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy 0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dinitro-1-thiocyanato-benzene
  • 2,4-dinitro-1-thiocyanatobenzene
  • 2,4-dinitro-1-thiocyanobenzene
  • 2,4-dinitrophenylthiocyanate
  • 2,4-dinitrothiocyanatebenzene
  • 2,4-dinitrothiocyanatobenzene
  • 2,4-dinitrothiocyanobenzene
  • 2317-w
  • caswell no. 392c
  • dnrb
  • dntb
  • epa pesticide chemical code 392400
  • gryzbol
  • grzybol
  • nbt (pesticide)
  • nirit
  • nirit supra
  • rdnb
  • rhodandinitrobenzol
  • rodatox 60
  • thiocyanic acid, 2,4-dinitrophenyl ester
  • tri-rodazene
  • trirodazeen
CAS Number(s)
  • 1594-56-5
InChIKey XQDQRCRASHAZBA-UHFFFAOYSA-N
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