Benoxafos

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Properties Simple | Detailed

Formula C12H16Cl2NO3PS2
IUPAC Name (5,7-dichloro-6h-1,3-benzoxazol-3-ium-6-id-2-yl)methylsulfanyl-diethoxy-sulfido-phosphonium
Molecular Mass 388.270 g·mol−1
Heat of Formation -631.8 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 399.09 Å 3
Surface Area 312.58 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -1.24 ± 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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