4-Chlorophenyl phenyl 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
- Boiling point
- 5–284 °C
- logP
- 4.13Crippen estimate
- Polar surface area
- 9.2 Ų
- 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
7005-72-3SMILES
Clc1ccc(Oc2ccccc2)cc1InChIKey
PGPNJCAMHOJTEF-UHFFFAOYSA-NInChI
InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzene, 1-chloro-4-phenoxy-
- Ether, p-chlorophenyl phenyl
- 1-Chloro-4-phenoxybenzene
- p-Chlorodiphenyl oxide
- p-Chlorophenyl phenyl ether
- 4-Chlorodiphenyl ether
- NSC 61839
- PCDE 3
- p-Phenoxychlorobenzene
- CDE 3
Work with 4-Chlorophenyl phenyl ether
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
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.
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.