chempirical

2,3,7,8-Tetrachlorodibenzodioxin

C12H4Cl4O2CAS 1746-01-6321.96 g/mol

Open in Covalent MOL file
ClClOClClO
Aryl halideEther

Properties

Molecular formula
C12H4Cl4O2
Molar mass
321.96 g/mol
Exact mass
319.8965 Da
Density
1.8 g/mL
Melting point
305–306 °C
logP
6.20Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1746-01-6
SMILES
Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2
InChIKey
HGUFODBRKLSHSI-UHFFFAOYSA-N
InChI
InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H

Weigh it out

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

Names and synonyms

16 names · show all
  • Dibenzo[b,e][1,4]dioxin, 2,3,7,8-tetrachloro-
  • Dibenzo-p-dioxin, 2,3,7,8-tetrachloro-
  • 2,3,7,8-Tetrachlorodibenzo[b,e][1,4]dioxin
  • 2,3,7,8-Tetrachlorodibenzo-p-dioxin
  • TCDBD
  • 2,3,7,8-Tetrachloro-p-dioxin
  • 2,3,7,8-Tetrachlorodibenzo-1,4-dioxin
  • Dioxin (herbicide contaminant)
  • TCDD
  • Dioxin
  • 2,3,7,8-TCDD
  • D 48
  • Tetrachlorodibenzodioxin
  • Tetrachlorodibenzo-p-dioxin
  • PCDD 48
  • 2378TCDD

Work with 2,3,7,8-Tetrachlorodibenzodioxin

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

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

Elsewhere

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