2,2-Bis(Bromomethyl)-3-Chloropropyl Bis(2-Chloro-1-(Chloromethyl)Ethyl)Phosphate

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Properties Simple | Detailed

Formula C11H18Br2Cl5O4P
IUPAC Name [2,2-bis(bromomethyl)-3-chloro-propyl] bis[2-chloro-1-(chloromethyl)ethyl] phosphate
Molecular Mass 582.305 g·mol−1
Heat of Formation -1385.8 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 493.01 Å 3
Surface Area 358.83 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy -0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-bis(bromomethyl)-3-chloropropyl bis(2-chloro-1-(chloromethyl)ethyl) phosphate
  • [2,2-bis(bromomethyl)-3-chloro-propyl] bis(1,3-dichloropropan-2-yl) phosphate
  • bis(1,3-dichloro-2-propyl) 3-chloro-2,2-dibromomethyl-1-propyl phosphate
  • mc 984
  • phosphoric acid [2,2-bis(bromomethyl)-3-chloro-propyl] bis[2-chloro-1-(chloromethyl)ethyl] ester
  • phosphoric acid [2,2-bis(bromomethyl)-3-chloropropyl] bis[2-chloro-1-(chloromethyl)ethyl] ester
  • phosphoric acid, 2,2-bis(bromomethyl)-3-chloropropyl bis(2-chloro-1-(chloromethyl)ethyl) ester
CAS Number(s)
  • 66108-37-0
InChIKey XPNOZWKYSGBXLU-UHFFFAOYSA-N
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Elements C Cl H O P Br