α-chloro-2-fluorotoluene

Water solubility

Administrative data

Endpoint:

water solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 02 DEC 2019 to 17 MAR 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2020

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Version / remarks:

adopted July 27, 1995

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.6 (Water Solubility)

Version / remarks:

January 2014

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7840 (Water Solubility)

Version / remarks:

March 1998

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

flask method

Test material

Test material information

Constituent 1

Reference substance name:

Reference substance 001

Cas Number:

345-35-7

Specific details on test material used for the study:

None

Results and discussion

Water solubility

Key result

Water solubility:

351 mg/L

Conc. based on:

test mat.

Incubation duration:

72 h

Temp.:

20 °C

pH:

>= 2 - <= 2.2

Details on results:

Preliminary test:
The solubility was estimated to be < 1 g/L in water and buffer solution pH 4, 7 and 9 at 20 °C. The concentrations in the pre-test samples were determined to be about 300 mg/L. Considering the pre-test results, it has been decided to perform the test as a non-pH-dependend shake flask experiment following OECD guideline 105.
Water solubility results:
As the equilibrium has not been reached after 24 h, the water solubility was calculated for the 48 h and 72 h samples. The water solubility at 20 °C was determined to be 351 mg/L.

The results showed no tendency to increase and met the validity criteria based on linearity, specificity, accuracy and precision, therefore the study is considered to be valid.

Any other information on results incl. tables

Table 1: Results for the Determination of the Water Solubility of the Test Item

Sample	pH (pH-meter)	Age [h]	Concentration detected ^a [mg/L]	Dilution factor	Concentration calculated [mg/L]
Sample 1	2.1	24	16.59	20	331.85
Sample 2	2.2	24	16.38	20	327.66
Sample 1	2.1	48	17.42	20	348.37
Sample 1	2.1	48	17.19	20	343.82
Sample 1	2.0	72	17.75	20	355.04
Sample 1	2.1	72	17.75	20	354.94
Mean value (n=4)					350.54
standard deviation					5.46
relative standard deviation					1.56%

a analysis of a dilution of the saturated solution, rounded value calculated from regression data

% deviation was calculated based on the difference of the 48 h and 72 h results; the 24 h samples has not been considered because equilibrium has not been reached

Applicant's summary and conclusion

Conclusions:

The water solubility at 20 °C was determined to be 351 mg/L.

Executive summary:

The water solubility of 2-Fluorbenzyl chloride was determined using the shake flask method. The saturation mass concentrations of the test item were determined using UPLC-UV - determination.

As the equilibrium has not been reached after 24 h, the water solubility was calculated for the 48 h and 72 h samples.

The results showed no tendency to increase and met all validity criteria, therefore the study is considered to be valid.

Corresponding to the analyses within this study, the water solubility at 20 °C was determined to be 351 mg/L.