5-bromo-1,3-dichloro-2-fluorobenzene

Water solubility

Link to relevant study record(s)

Reference

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

March 1998

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Key result

Water solubility:

15 mg/L

Conc. based on:

test mat.

Incubation duration:

3 d

Temp.:

20 °C

pH:

6.5

Table 1: Results of the study on water solubility

sample number	W1	W3	W5	W2	W4	W6
amount of test item [mg] dispersed in 100 ml of water	2.67	2.81	2.54	2.64	2.51	2.55
number of days at 20.0 °C	3	2	1	3	2	1
number of days at 20.0 °C	1	1	1	1	1	1
centrifugation time [minutes]	40	40	40	40	40	40
centrifugation speed [G value]	30000	30000	30000	48000	48000	48000
pH of clear solution	6.67	6.49	6.67	6.41	6.40	6.41
Average pH value	6.5
water solubility [mg/l]       1^stdetermination       2^nddetermination       average	14.397 14.387 14.392	13.638 13.607 13.623	15.700 15.699 15.700	14.489 14.438 14.464	16.454 16.428 16.441	15.413 15.466 15.440
average [mg/l]	14.571			15.448
relative standard deviation [%]	6.45			5.73
total average [mg/l]	15
total relative standard deviation [%]	6.6

Conclusions:

The water solubility of the test substance was determined to be 15 mg/L at 20 °C.

Executive summary:

The water solubility of the substance was determined with the flask method under GLP in accordance with OECD TG 105. Pure water with a resistivity of >15 MΩ.cm that had been filtered through a 0.45 μm filter was used in the study.

On the first three days of the main experiment, two dispersions, each containing about two times the amount of material necessary for saturation, were prepared in 100 mL volumetric flask. The contents were then equilibrated by continuous gentle stirring directly at 20.0 °C (± 0.5 °C) in a thermostatically controlled water bath. On the fourth day the temperature of the water bath was reduced to the test temperature of 20.0 °C (± 0.5 °C), at which temperature the test dispersions were then re-equilibrated by continuous gentle stirring for at least further twenty-four hours.

Finally, the dispersions were transferred to stainless steel centrifuge tube and centrifuged for forty minutes at 30000 G or 48000 G, as appropriate, in a centrifuge, thermostated at 20 °C. Afterwards, each centrifuge tube contained a clear, aqueous solution with undissolved, excess test item still present. Subsequently, an aliquot from each clear, centrifuged, saturated solution was removed and analyzed by high performance liquid chromatography (HPLC).

The six samples thus prepared represent the six permutations of two different centrifugation accelerations with three different pre-equilibrium periods (1, 2 or 3 days) at 20.0 °C.

Centrifugation at different G values gave similar results, demonstrating that clear solutions had been obtained by centrifugation. Pre-equilibration for different lengths of time also gave similar results indicating that equilibrium had indeed been reached.

The pH of each saturated solution was determined following centrifugation and was in the range from 6.4 to 6.61.

A comparison of the retention times of the test substance in the reference solutions with those in the sample solutions indicated that the identity of the test item had not altered during the experiment.

Description of key information

The water solubility of the substance has been determined reliably by the flask method under GLP according to OECD TG 105.

Key value for chemical safety assessment

Water solubility:

15 mg/L

at the temperature of:

20 °C