Bronopol

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Properties Simple | Detailed

Formula C3H6BrNO4
IUPAC Name 2-bromo-2-nitro-propane-1,3-diol
Molecular Mass 199.988 g·mol−1
Heat of Formation -411.9 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 160.91 Å 3
Surface Area 157.6 Å 2
HOMO Energy -11.05 ± 0.55 eV
LUMO Energy 1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-propanediol, 2-bromo-2-nitro-
  • 2-bromo-2-nitro-1,3-propanediol
  • 2-bromo-2-nitropropane-1,3-diol
  • 2-bromo-2-nitropropane-1,3-diol [un3241] [flammable solid]
  • 2-nitro-2-bromo-1,3-propanediol
  • beta-bromo-beta-nitrotrimethyleneglycol
  • bronidiol
  • bronocot
  • bronopol (jan/usan)
  • bronopol [ban:inn:jan]
  • bronosol
  • bronotak
  • caswell no. 116a
  • d01577
  • epa pesticide chemical code 216400
  • lexgard bronopol
  • onyxide 500
CAS Number(s)
  • 133248-96-1
  • 52-51-7
InChIKey LVDKZNITIUWNER-UHFFFAOYSA-N
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Elements H C O Br N