CAS 2689-07-8 2-Chlorodiphenyl ether (HCID 75900)

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Basic information

CAS: 2689-07-8
Standard SMILES: Clc1ccccc1Oc1ccccc1
InChIKey: IPBRZLMGGXHHMS-UHFFFAOYSA-N
Molecular formula: C12H9ClO
Average molar mass: 204.65 g/mol
Monoisotopic mass: 204.03419259

Names & identifiers

Preferred name: 2-Chlorodiphenyl ether
IUPAC: 1-chloro-2-phenoxybenzene
English name: 2-Chlorodiphenyl ether
Molecular formula: C12H9ClO
Molecular weight: 204.65

Names & synonyms

2-Chlorodiphenyl ether1-Chloro-2-phenoxybenzene2689-07-8o-Chlorophenyl phenyl etherBenzene, 1-chloro-2-phenoxy-Ether, o-chlorophenyl phenylY4PN8T6MU1NSC-396542-CHLORODIPHENYLETHERMFCD00626436PCDE 1UNII-Y4PN8T6MU1

Show more names

2-chloro biphenyl ether1-chloro-2-(phenoxy)benzene2-Chlorodiphenyl ether / 2-Chlorophenyl phenyl ether

1-chloro-2-phenoxy-benzeneO-CHLORODIPHENYL ETHERO-CHLORODIPHENYL OXIDE1-Chloro-2-phenoxybenzene #SCHEMBL231083SCHEMBL231819SCHEMBL921121SCHEMBL921351

Database identifiers

CAS: 2689-07-8
PubChem CID: 75900
DTXSID: DTXSID90181397
UNII: Y4PN8T6MU1
Nikkaji: J127.125C

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 166

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP4.45

Physicochemical properties

Melting point: 39 · 39-40 °C
Boiling point: 152 · 152-153 °C
Density: 1.194 g/cm3 · 1.194 g/cm3
Henry's Law Constant: 3.1 · 3.1×10-2 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999)
CAS DataBase Reference: 2689 · 2689-07-8(CAS DataBase Reference)
FDA UNII: 4 PN8T6MU1 · Y4PN8T6MU1