Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Scientifically acceptable calculation

Data source

Reference
Reference Type:
other: model calculation report
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guideline
Qualifier:
no guideline required
GLP compliance:
no
Type of method:
other: model calculation
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
α-chloro-4-fluoroacetophenone
EC Number:
207-256-4
EC Name:
α-chloro-4-fluoroacetophenone
Cas Number:
456-04-2
Molecular formula:
C8H6ClFO
IUPAC Name:
2-chloro-1-(4-fluorophenyl)ethanone
Details on test material:
Name of test material (as cited in study report): 2-chloro-4′-fluoroacetophenone
Analytical purity: pure
Smiles notation: c1(F)ccc(C(=O)CCL)cc1

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.13
Temp.:
25 °C

Any other information on results incl. tables

The data refer to the uncharged molecule.

Value from generally accepted calculation method. No data available for pH value.

Applicant's summary and conclusion