Basic information
- CAS
6903-65-7- Standard SMILES
Clc1ccc(Oc2ccccc2Cl)cc1- InChIKey
MWKULKMSBBSGTP-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2O
- Average molar mass
- 239.09 g/mol
- Monoisotopic mass
- 237.9952203
Names & identifiers
- Preferred name
- 2,4'-Dichlorodiphenyl ether
- IUPAC
- 1-chloro-2-(4-chlorophenoxy)benzene
- English name
- 2,4-DICHLORODIPHENYLETHER(2,4'-DICHLOROISOMER)
- Molecular weight
- 0
Names & synonyms
2,4'-DICHLORODIPHENYL ETHER6903-65-7UNII-P841L8848FPCDE 8P841L8848FBenzene, 1-chloro-2-(4-chlorophenoxy)-DTXSID00219099RefChem:81959DTXCID701415901-chloro-2-(4-chlorophenoxy)benzeneSCHEMBL1375267SCHEMBL5880503
Show more names
2-Chlorophenyl 4-chlorophenyl ether
SCHEMBL9321769MWKULKMSBBSGTP-UHFFFAOYSA-NQ272863512,4-DICHLORODIPHENYLETHER(2,4'-DICHLOROISOMER)
Database identifiers
- CAS
6903-65-7- PubChem CID
- 23341
- DTXSID
DTXSID00219099- UNII
- P841L8848F
- Nikkaji
- J151.896H
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
- 190
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP5.03
Physicochemical properties
- Henry's Law Constant
- 3.2 · 3.2×10-2 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999)
- FDA UNII
- 841 L8848F · P841L8848F
Chemistry & industry
Suppliers1 total
深圳博恩生物医药有限公司—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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