1-bromo-3,4,5-trifluorobenzene

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

01.05.1995 - 28.07.1995

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Remarks:

The study was conducted according to EU guideline.

Qualifier:

according to guideline

Guideline:

EU Method A.8 (Partition Coefficient - HPLC Method)

Version / remarks:

Directive 92/69/EEC

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

3.53

Temp.:

40 °C

Remarks on result:

other: pH value not reported

Type:

Pow

Partition coefficient:

3 420

Temp.:

40 °C

Remarks on result:

other: pH value not reported

Details on results:

The dead time tR (thiourea) was determined to be 2.1 minutes.
The preliminary test determined the partition coefficient of the test item to be approximately 10000 and respectively LogPow = 4.

Table 1. Retention time of the calibration standards

Standard	Mean retention time of 2 injections (min)	Capacity factor k	Logk	LogPow*
Benzonitrile	3.044	0.450	-0.347	1.6
Benzene	5.034	1.397	0.145	2.1
Toluene	7.330	2.490	0.396	2.7
Naphthalene	9.902	3.715	0.570	3.6
Phenanthrene	23.112	10.006	1.000	4.5
Triphenylamine	58.611	26.910	1.430	5.7

* literature values

Table 2. Results of the determination of the partition coefficient of the test item

Injection	Retention time (min)	Capacity factor k	Logk	Log Pow
1	10.488	3.994	0.601	3.53
2	10.503	4.001	0.602	3.54

Mean logPow = 3.53

Mean Pow = 3420

Conclusions:

The partition coefficient of the test item was determined to be 3.53 at 40 °C.

Executive summary:

A study was conducted in accordance with Directive 92/69/EEC method A.8 to determine the partition coefficient of the test substance using the HPLC method. 0.0216 g of the test item were dissolved in 200 mL mobile phase. A set of 6 calibration standards were measured to determine the calibration curve. Two injections of the calibration references and the test item were performed. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. The value found for the partition coefficient at 40 °C is 3420 and the logPow was determined to be 3.53, respectively.

Description of key information

The partition coefficient of the test item was determined to be logPow = 3.53 at 40 °C (reference 4.7-1).

Key value for chemical safety assessment

Log Kow (Log Pow):

3.53

at the temperature of:

40 °C

Additional information

A study was conducted in accordance with Directive 92/69/EEC method A.8 to determine the partition coefficient of the test substance using the HPLC method. 0.0216 g of the test item were dissolved in 200 mL mobile phase. A set of 6 calibration standards were measured to determine the calibration curve. Two injections of the calibration references and the test item were performed. Retention times tR were measured and averaged and the decimal logarithms of the capacity factors k were calculated. The linear regression parameters of the relationship log Pow = f(log k) were also calculated from the data obtained with the calibration mixture and, therewith, log Pow of the test substance was determined from its measured capacity factor. The value found for the partition coefficient at 40 °C is 3420 and the logPow was determined to be 3.53, respectively.