Hexachlorodiphenyloxide

C₁₂H₄Cl₆OCAS 31242-93-0376.86 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₂H₄Cl₆O
Molar mass: 376.86 g/mol
Exact mass: 373.8393 Da
logP: 7.40Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritationSkin corrosion/irritation
H372 Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure

NITE-CMC, via PubChem.

Precautionary statements

P260, P264, P270, P280, P302+P352, P319, P321, P332+P317, P362+P364, P501

Identifiers

CAS number

31242-93-0

SMILES

C1=CC(=C(C(=C1OC2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl

InChIKey

ATIMVMORQPKRPC-UHFFFAOYSA-N

InChI

InChI=1S/C12H4Cl6O/c13-5-1-3-7(11(17)9(5)15)19-8-4-2-6(14)10(16)12(8)18/h1-4H

Weigh it out

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

Names and synonyms

3 names

Benzene, 1,1′-oxybis-, hexachloro deriv.
Phenyl ether, hexachloro deriv.
Hexachlorodiphenyl ether

Work with Hexachlorodiphenyloxide

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

2,3,4-Trichloroanisole54135-80-764 % similar 1,2,3,4-Tetrachlorobenzene634-66-263 % similar 2,3,4-Trichlorophenol15950-66-046 % similar 2,3,4-Trichloroaniline634-67-346 % similar 1,2,3-Trichlorobenzene87-61-645 % similar 2,3,7,8-Tetrachlorodibenzodioxin1746-01-643 % similar 2,3,6-Trichlorotoluene2077-46-542 % similar 2,3,6-Trichlorophenol933-75-542 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook