1,8-Dichlorooctane

C₈H₁₆Cl₂CAS 2162-99-4183.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₆Cl₂
Molar mass: 183.12 g/mol
Exact mass: 182.0629 Da
Density: 1.025 g/mL (at 25 °C)
Boiling point: 241 °C
logP: 3.80Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H335 May cause respiratory irritation86.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

2162-99-4

SMILES

ClCCCCCCCCCl

InChIKey

WXYMNDFVLNUAIA-UHFFFAOYSA-N

InChI

InChI=1S/C8H16Cl2/c9-7-5-3-1-2-4-6-8-10/h1-8H2

Weigh it out

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

Names and synonyms

1 names

Octane, 1,8-dichloro-

Work with 1,8-Dichlorooctane

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

Similar compounds

1,10-Dichlorodecane2162-98-3100 % similar 1,6-Dichlorohexane2163-00-0100 % similar 1,5-Dichloropentane628-76-2100 % similar 1,4-Dichlorobutane110-56-589 % similar 1,3-Dichloropropane142-28-970 % similar 1-Chlorodecane1002-69-360 % similar 1-Chlorooctane111-85-360 % similar 1-Chlorododecane112-52-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dichloro-2,5-dimethylhexane6223-78-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook