Benoxafos

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Properties Simple | Detailed

Formula C12H14Cl2NO3PS2
IUPAC Name (5,7-dichloro-1,3-benzoxazol-2-yl)methylsulfanyl-diethoxy-thioxo-λ5-phosphane
Molecular Mass 386.254 g·mol−1
Heat of Formation -622.8 ± 16.7 kJ·mol−1
Dipole Moment 3.72 ± 1.08 D
Volume 400.52 Å 3
Surface Area 323.1 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
Synonyms
  • (5,7-dichloro-1,3-benzoxazol-2-yl)methylsulfanyl-diethoxy-sulfanylidene-phosphorane
  • (5,7-dichloro-1,3-benzoxazol-2-yl)methylsulfanyl-diethoxy-sulfanylidenephosphorane
  • (5,7-dichloro-1,3-benzoxazol-2-yl)methylsulfanyl-diethoxy-thioxo-phosphorane
  • [(5,7-dichloro-1,3-benzoxazol-2-yl)methylthio]-diethoxy-thioxo-phosphorane
  • [(5,7-dichloro-1,3-benzoxazol-2-yl)methylthio]-diethoxy-thioxophosphorane
  • o,o-diethyl-s-(5,7-dichlorobenzoxazol-2-ylmethyl)dithiophosphate
  • s-((5,7-dichlorobenzoxazol-2-yl)methyl) o,o-diethyl phosphorodithioate
CAS Number(s)
  • 16759-59-4
InChIKey KEZAYQGUTKCBLO-UHFFFAOYSA-N
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