Chlorophenoxybenzene

C₁₂H₉ClOCAS 55398-86-2204.65 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₂H₉ClO
Molar mass: 204.65 g/mol
Exact mass: 204.0342 Da
Density: 1.2026 g/mL (at 15 °C)
Melting point: −8 °C
logP: 4.13Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation16.7% of notifiers
H317 May cause an allergic skin reaction16.7% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation16.7% of notifiers
H400 Very toxic to aquatic life66.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

55398-86-2

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl

InChIKey

PGPNJCAMHOJTEF-UHFFFAOYSA-N

InChI

InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H

Weigh it out

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

Names and synonyms

5 names

Benzene, chlorophenoxy-
Chlorodiphenyl ether
Monochlorodiphenyl oxide
Chlorophenyl phenyl ether
4-Chlorophenyl phenyl ether

Work with Chlorophenoxybenzene

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Chlorophenyl phenyl ether7005-72-3

Similar compounds

3,4′-Dichlorodiphenyl ether6842-62-271 % similar 1,4-Diphenoxybenzene3061-36-768 % similar Diphenyl ether101-84-863 % similar 4-(4-Chlorophenoxy)benzenamine101-79-160 % similar 4-(4-Chlorophenoxy)phenol21567-18-060 % similar 1,3-Diphenoxybenzene3379-38-259 % similar 2-(4-Chlorophenoxy)benzenamine2770-11-855 % similar Chlorobenzene108-90-755 % similar

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

Same formula

2-Chlorodiphenyl ether2689-07-8 2-Naphthaleneacetyl chloride37859-25-9 2-Chloro-4-phenylphenol92-04-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook