chempirical

Dieldrin

C12H8Cl6OCAS 60-57-1380.89 g/mol

Open in Covalent MOL file
ClClClOClClCl
AlkeneAlkyl halideEpoxideEtherVinyl halide

Properties

Molecular formula
C12H8Cl6O
Molar mass
380.89 g/mol
Exact mass
377.8706 Da
Density
1.75 g/mL
Melting point
175.5 °C
Boiling point
330 °C
logP
4.48Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0
Stereocentres
R, R, S, R, R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
60-57-1
SMILES
ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@H]5O[C@@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl
InChIKey
DFBKLUNHFCTMDC-PICURKEMNA-N
InChI
InChI=1/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-

Weigh it out

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

Names and synonyms

22 names · show all
  • 2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aR,2R,2aS,3S,6R,6aR,7S,7aS)-rel-
  • 2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aα,2β,2aα,3β,6β,6aα,7β,7aα)-
  • 1,4:5,8-Dimethanonaphthalene, 1,2,3,4,10,10-hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-, endo,exo-
  • Rel-(1aR,2R,2aS,3S,6R,6aR,7S,7aS)-3,4,5,6,9,9-Hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene
  • HEOD
  • 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-endo-1,4-exo-5,8-dimethanonaphthalene
  • Illoxol
  • Octalox
  • 1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo,exo-5,8-dimethanonaphthalene
  • Aldrin epoxide
  • Insectlack
  • Alvit 55
  • ENT-16225
  • Red shield
  • SD 3417
  • Dieldrex
  • Dielmoth
  • Dorytox
  • Moth snub D
  • Kombi-albertan
  • Termitox
  • exo-Dieldrin

Work with Dieldrin

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Endrin72-20-8Diastereomer

Similar compounds

Isobenzan297-78-955 % similar Aldrin309-00-253 % similar Dechlorane plus13560-89-947 % similar Chlordane57-74-946 % similar Heptachlor76-44-841 % similar Chlorendic anhydride115-27-541 % similar Endosulfan115-29-740 % similar Chlorendic acid115-28-637 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia