Basic information
- CAS
56960-97-5- Standard SMILES
OC(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
RGMCATMRVFCULW-UHFFFAOYSA-N- Molecular formula
- C14H12Cl2O
- Average molar mass
- 267.1 g/mol
- Monoisotopic mass
- 266.02652036
Names & identifiers
- Preferred name
- 1,2-Bis(p-chlorophenyl) ethanol
- IUPAC
- 1,2-bis(4-chlorophenyl)ethanol
Names & synonyms
1,2-BIS(P-CHLOROPHENYL) ETHANOLHSDB 283256960-97-5Ethanol, 1,2-bis(p-chlorophenyl)-UNII-Z02XU03252Z02XU03252AI3-23251Benzeneethanol, 4-chloro-alpha-(4-chlorophenyl)-Benzeneethanol, 4-chloro-.alpha.-(4-chlorophenyl)-1,2-BIS(P-CHLOROPHENYL) ETHANOL [HSDB]RefChem:71742Ethanol, 1,2bis(pchlorophenyl)
Show more names
Benzeneethanol, 4chloroalpha(4chlorophenyl)SCHEMBL5099590SCHEMBL9479844DTXSID20972417RGMCATMRVFCULW-UHFFFAOYSA-N1,2-di(4-chlorophenyl)ethan-1-ol1,2-bis(4-chlorophenyl)ethan-1-olQ27294818
Database identifiers
- CAS
56960-97-5- PubChem CID
- 42056
- DTXSID
DTXSID20972417- UNII
- Z02XU03252
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 218
Experimental & physicochemical properties
PolymersOther Classes -> Halogenated Polyaromatics
Chemistry & industry
Pharmacology
Metabolism/Metabolites
EVERY 24 HR UP TO 3 WK AFTER IM INJECTIONS FISH & WATER ANALYZED. P,P'-(14)C-DDOH APPARENTLY CONVERTED TO P,P'-DBP IN 1 EXPT.
GROUPS OF 5 OR 10 RAINBOW TROUT FRY (SALMO GAIRDNERII) WEIGHING APPROX 1 G INJECTED IM WITH (14)C-LABELED 2,2-BIS(P-CHLOROPHENYL) ETHANOL (P,P'-DDOH) AT INTERVALS OF 24 HR & 3 WK AFTER INJECTION, FISH & WATER EXAM. 2ND EXPOSURE DID NOT CONFIRM METABOLITES.
Related reactions
4 records
Compound notes
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