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4-Chlorodiphenyl Ether

CAT: 0572-TRC-C292875-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C292875-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7005-72-3
Synonyms
Benzene, 1-chloro-4-phenoxy-; Ether, p-chlorophenyl phenyl (6CI,7CI,8CI); 1-Chloro-4-phenoxybenzene; 4-Chlorodiphenyl ether; 4-Chlorophenyl phenyl ether; CDE 3; NSC 61839; PCDE 3; p-Chlorodiphenyl oxide; p-Chlorophenyl phenyl ether; p-Phenoxychlorobenzene; 4-MonoCDE
Hazard Statement
Causes serious eye damage; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
Clc1ccc(Oc2ccccc2)cc1
Molecular Formula
C12 H9 Cl O
Molecular Weight
204.65
InChI
InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
Additionnal Information
IUPAC name: 1-chloro-4-phenoxybenzene
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Chlorophenyl phenyl ether

4-chlorophenyl phenyl ether appears as liquid. Density 1.193 g / cm3. Insoluble or slightly soluble in water.

CAS Number7005-72-3
PubChem CID23436
IUPAC Name1-chloro-4-phenoxybenzene
Molecular FormulaC12H9ClO
Molecular Weight204.65
XLogP4.3
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity158
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H
InChIKey
PGPNJCAMHOJTEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorophenyl phenyl ether
CAS: 7005-72-3
CID: 23436
Formula: C12H9ClO
MW: 204.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.65
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass204.0341926
Monoisotopic Mass204.0341926
Topological Polar Surface Area9.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity158
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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