chempirical

4-Chlorophenyl phenyl ether

C12H9ClOCAS 7005-72-3204.65 g/mol

Open in Covalent MOL file
ClO
Aryl halideEther

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

Identifiers

CAS number
7005-72-3
SMILES
Clc1ccc(Oc2ccccc2)cc1
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

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

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 1,3-Diphenoxybenzene3379-38-259 % similar 2-(4-Chlorophenoxy)benzenamine2770-11-855 % similar Chlorobenzene108-90-755 % similar Biphenyl-diphenyl ether mixture8004-13-555 % similar

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

Same formula

2-Naphthaleneacetyl chloride37859-25-9 2-Chloro-4-phenylphenol92-04-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook