1,1′-Oxybis[4-chlorobutane]

C₈H₁₆Cl₂OCAS 6334-96-9199.11 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₈H₁₆Cl₂O
Molar mass: 199.11 g/mol
Exact mass: 198.0578 Da
Density: 1.0747 g/mL (at 20 °C)
Boiling point: 125–128 °C (at 12 Torr)
logP: 3.04Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 8

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6334-96-9

SMILES

ClCCCCOCCCCCl

InChIKey

PVBMXMKIKMJQRK-UHFFFAOYSA-N

InChI

InChI=1S/C8H16Cl2O/c9-5-1-3-7-11-8-4-2-6-10/h1-8H2

Weigh it out

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

Names and synonyms

8 names

Butane, 1,1′-oxybis[4-chloro-
Ether, bis(4-chlorobutyl)
Bis(4-chlorobutyl) ether
4,4′-Dichlorodibutyl ether
1,9-Dichloro-5-oxanonane
NSC 26978
4,4′-Dichlorobutyl ether
1-Chloro-4-(4-chlorobutoxy)butane

Reactions

4,4'-DICHLORODIBUTYL ETHER (Ether, bis(4-chlorobutyl))product

Work with 1,1′-Oxybis[4-chlorobutane]

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

Tetrahydrofuran109-99-957 % similar 1,4-Dichlorobutane110-56-557 % similar Bis(chloroethyl) ether111-44-456 % similar 1-Chloro-4-methoxybutane17913-18-755 % similar 1,10-Dichlorodecane2162-98-353 % similar 1,8-Dichlorooctane2162-99-453 % similar 1,6-Dichlorohexane2163-00-053 % similar 1,5-Dichloropentane628-76-253 % similar

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

Elsewhere

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