2,3,7,8-Tetrachlorodibenzodioxin

C₁₂H₄Cl₄O₂CAS 1746-01-6321.96 g/mol

Open in Covalent MOL file

Aryl halide Ether

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
Flash point: 4 °C (closed cup)
Water solubility: 0.2 µg/L
logP: 6.20Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed100% of notifiers
H319 Causes serious eye irritation97.4% of notifiers
H400 Very toxic to aquatic life97.4% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P391, P405, P501

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

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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

1,2,4,5-Tetrachlorobenzene95-94-353 % similar 1,4-Dichloro-2,5-dimethoxybenzene2675-77-648 % similar Hexachlorodiphenyloxide31242-93-043 % similar 2-Chlorodiphenyl ether2689-07-840 % similar 4,5-Dichloro-1,2-phenylenediamine5348-42-540 % similar 1,2-Dichlorobenzene95-50-139 % similar Fenchlorphos299-84-338 % similar 1-Chloro-3-methoxy-2-methylbenzene3260-88-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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