3,4',5-Trichlorodiphenyl ether
Basic information
- CAS
24910-73-4- Standard SMILES
Clc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1- InChIKey
CCEZFZGXWFJQEF-UHFFFAOYSA-N- Molecular formula
- C12H7Cl3O
- Average molar mass
- 273.5 g/mol
- Monoisotopic mass
- 271.956248
Names & identifiers
- Preferred name
- 3,4',5-Trichlorodiphenyl ether
- IUPAC
- 1,3-dichloro-5-(4-chlorophenoxy)benzene
- English name
- 1,3-dichloro-5-(4-chlorophenoxy)benzene
- Molecular formula
- C12H7Cl3O
- Molecular weight
- 273.54
Names & synonyms
3,4',5-Trichlorodiphenyl ether24910-73-4PCDE 39UNII-94ZH57G3YM94ZH57G3YMDTXSID40179623RefChem:90841DTXCID001021141,3-dichloro-5-(4-chlorophenoxy)benzeneCCEZFZGXWFJQEF-UHFFFAOYSA-NQ27271715Benzene, 1,3-dichloro-5-(4-chlorophenoxy)-
Database identifiers
- CAS
24910-73-4- PubChem CID
- 90650
- DTXSID
DTXSID40179623- UNII
- 94ZH57G3YM
- Nikkaji
- J151.965D
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 206
Experimental & physicochemical properties
LogP5.77
Physicochemical properties
- Henry's Law Constant
- 1.6 · 1.6×10-1 mol/(m3Pa) at 25℃, Kurz and Ballschmiter (1999)
- FDA UNII
- 94 ZH57G3YM · 94ZH57G3YM
Chemistry & industry
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