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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
September 2012-June 2013
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: This study has been performed according to OECD and/or EC guidelines and according to GLP principles.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2013
Report date:
2013

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
2-fluoro-5-methanesulfonylbenzoic acid
EC Number:
689-137-0
Cas Number:
247569-56-8
Molecular formula:
C8 H7 F O4 S
IUPAC Name:
2-fluoro-5-methanesulfonylbenzoic acid
Test material form:
solid: particulate/powder
Remarks:
migrated information: powder
Details on test material:
White
Lot : 270002C

Results and discussion

Water solubilityopen allclose all
Water solubility:
2 492 mg/L
Temp.:
19.3 °C
pH:
2.5
Water solubility:
2 478 mg/L
Temp.:
19.3 °C
pH:
2.4
Water solubility:
2 388 mg/L
Temp.:
19.3 °C
pH:
2.4
Water solubility:
2 573 mg/L
Temp.:
19.3 °C
pH:
2.4

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): soluble (1000-10000 mg/L)
The water solubility of 2-Fluoro-5-(methylsulfonyl)benzoic acid, calculated as the mean value of the four determinations, is 2483 mg/l.
Executive summary:

The water solubility of 2-Fluoro-5-(methylsulfonyl)benzoic acid, was investigated by dissolving the test substance in tightly sealed test vessels at 30°C for at least 24 h and equilibration at 20°C for another 24 h, both by using a magnetic stirrer.

The initially added amount of the test substance was 50 g per litre deionised water. The measured concentrations after filtration by 0.45 µm cellulose acetate membrane sterile syringe filter were as follows:

2492 mg/l after 144 h (i.e. 120 h at 31 ± 0.2°C and 24 h at 19.3 ± 0.2°C), pH 2.5

2478 mg/l after 168 h (i.e. 144 h at 31 ± 0.2°C and 24 h at 19.3 ± 0.2°C), pH 2.4

2388 mg/l after 192 h (i.e. 168 h at 31 ± 0.2°C and 24 h at 19.3 ± 0.2°C), pH 2.4

2573 mg/l after 216 h (i.e. 192 h at 31 ± 0.2°C and 24 h at 19.3 ± 0.2°C) pH 2.4

The water solubility of 2-Fluoro-5-(methylsulfonyl)benzoic acid, calculated as the mean value of the four determinations, is 2483 mg/l.

The test is valid, since the concentrations of at least the last 2 vessels do not differ by more than 15%.