5-Chloromethyl-6-Propyl-1,3-Benzodioxole

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Properties Simple | Detailed

Formula C11H13ClO2
IUPAC Name 5-(chloromethyl)-6-propyl-1,3-benzodioxole
Molecular Mass 212.673 g·mol−1
Heat of Formation -311.0 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 249.04 Å 3
Surface Area 233.29 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-benzodioxole, 5-(chloromethyl)-6-propyl-
  • 3,4-methylenedioxy-6-propyl-alpha-chlorotoluene
  • toluene, .alpha.-chloro-4,5-(methylenedioxy)-2-propyl-
CAS Number(s)
  • 1938-32-5
InChIKey HERYYLFZPLNJDW-UHFFFAOYSA-N
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Elements H C O Cl