chempirical

Diquat

C12H12Br2N2CAS 85-00-7344.05 g/mol

Open in Covalent MOL file
Br−Br−N+N+

Properties

Molecular formula
C12H12Br2N2
Molar mass
344.05 g/mol
Exact mass
341.9367 Da
Density
1.22–1.27 g/mL (at 20 °C)
Melting point
337 °C
logP
-5.05Crippen estimate
Polar surface area
7.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
85-00-7
SMILES
[Br-].[Br-].c1cc[n+]2c(c1)-c1cccc[n+]1CC2
InChIKey
ODPOAESBSUKMHD-UHFFFAOYSA-L
InChI
InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

21 names · show all
  • Dipyrido[1,2-a:2′,1′-c]pyrazinediium, 6,7-dihydro-, bromide (1:2)
  • Dipyrido[1,2-a:2′,1′-c]pyrazinediium, 6,7-dihydro-, dibromide
  • 6,7-Dihydrodipyrido[1,2-a:2′,1′-c]pyrazinediium dibromide
  • 6,7-Dihydrodipyrido[1,2-a:2′,1′-c]pyrazidiinium dibromide
  • 9,10-Dihydro-8a,10a-diazoniaphenanthrene dibromide
  • Diquat dibromide
  • 1,1′-Ethylene-2,2′-bipyridylium dibromide
  • Reglon
  • Reglone
  • 1,1′-Ethylene-2,2′-bipyridinium dibromide
  • Ortho-diquat
  • PP 100
  • Weedtrine D
  • N,N′-Ethylene-2,2′-bipyridinium dibromide
  • 6,7-Dihydrodipyrido[1,2-a:2′,1′-c]pyrazinium dibromide
  • Reward
  • Eliminator
  • Eliminator (herbicide)
  • Reglox
  • Reglone turbo
  • PP 100 (herbicide)

Work with Diquat

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diquat2764-72-985 % similar Phenacylpyridinium bromide16883-69-534 % similar Ethylenebis[triphenylphosphonium bromide]1519-45-531 % similar Ethylpyridinium bromide1906-79-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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