Basic information
- CAS
24910-69-8- Standard SMILES
Clc1ccc(Cl)c(Oc2ccccc2)c1- InChIKey
VITXVDNQHXYQSK-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2O
- Average molar mass
- 239.09 g/mol
- Monoisotopic mass
- 237.9952203
Names & identifiers
- Preferred name
- 1,4-Dichloro-2-phenoxybenzene
- IUPAC
- 1,4-dichloro-2-phenoxybenzene
- English name
- 1,4-dichloro-2-phenoxy-benzene
- Molecular formula
- C12H8Cl2O
- Molecular weight
- 239.1
Names & synonyms
1,4-Dichloro-2-phenoxybenzene24910-69-82,5-Dichlorodiphenyl etherPCDE 9Benzene, 1,4-dichloro-2-phenoxy-AE3XVC3132UNII-AE3XVC3132Benzene,1,4-dichloro-2-phenoxy-SCHEMBL811114SCHEMBL2751226SCHEMBL2753543DTXSID80179622
Show more names
1,4-dichloro-2-phenoxy-benzene2,5-Dichlorophenylphenyl ether
1,4-Dichloro-2-phenoxybenzene #Q27273889
Database identifiers
- CAS
24910-69-8- PubChem CID
- 90649
- DTXSID
DTXSID80179622- UNII
- AE3XVC3132
- Nikkaji
- J99.851F
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.13
Physicochemical properties
- Henry's Law Constant
- 7.9 · 7.9×10-2 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999)
- FDA UNII
- 3 XVC3132 · AE3XVC3132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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