3-Chloro-4-Methylumbelliferone Di(2-Chloroethyl) Phosphate

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Properties Simple | Detailed

Formula C14H14Cl3O6P
IUPAC Name bis(2-chloroethyl) (3-chloro-4-methyl-2-oxo-chromen-7-yl) phosphate
Molecular Mass 415.590 g·mol−1
Heat of Formation -1371.9 ± 16.7 kJ·mol−1
Dipole Moment 7.71 ± 1.08 D
Volume 409.74 Å 3
Surface Area 330.36 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • 3-chloro-4-methyl-umbelliferone bis(2-chloroethyl)phosphate
  • 3-chloro-7-hydroxy-4-methyl-2h-1-benzopyran-2-one bis(chloroethyl)phosphate
  • 3-chloro-7-hydroxy-4-methylcoumarin bis(2-chloroethyl)phosphate
  • 96h60
  • bis(2-chloroethyl) (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate
  • coumarin, 3-chloro-7-hydroxy-4-methyl-, bis(2-chloroethyl) phosphate
  • di-(2-chloroethyl) 3-chloro-4-methylcoumarin-7-yl phosphate
  • di-(2-chloroethyl)-3-chloro-4-methyl-7-coumarinyl phosphate
  • ethanol, 2-chloro-, hydrogen phosphate, ester with 3-chloro-7-hydroxy-4-methylcoumarin
  • ethanol, 2-chloro-, phosphate diester, ester with 3-chloro-7-hydroxy-4-methylcoumarin
  • eustidil
  • galloxon
  • galoxone
  • haloxon
  • haloxon [ban:inn]
  • helmirane
  • helmiron
  • helmirone
  • loxon
  • luxon
  • o,o-bis(2-chloroethyl) o-(3-chloro-4-methyl-7-coumarinyl) phosphate
  • o,o-di(2-chloroethyl)-o-(3-chloro-4-methylcoumarin-7-yl)phosphate
  • phosphoric acid bis(2-chloroethyl) (3-chloro-2-keto-4-methyl-chromen-7-yl) ester
  • phosphoric acid bis(2-chloroethyl) (3-chloro-4-methyl-2-oxo-7-chromenyl) ester
  • phosphoric acid, bis(2-chloroethyl) 3-chloro-4-methyl-2-oxo-2h-1-benzopyran-7-yl ester
  • phosphorsaeure-o,o-di-(2-chlorethyl)-o-(3'-chlor-4'-mehyl-cumarin-7-yl)ester
CAS Number(s)
  • 321-55-1
InChIKey KULDXINYXFTXMO-UHFFFAOYSA-N
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