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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
2010-02-08 to 2010-03-18
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: Study conducted in compliance with minor deviations from standard test guidelines and/or minor methodological deficiencies, which do not affect the quality of the relevant results. The study report was conclusive and done to a valid guideline.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
minor
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
Deviations:
yes
Remarks:
minor
GLP compliance:
yes (incl. QA statement)
Type of method:
flask method

Test material

Constituent 1
Chemical structure
Reference substance name:
5-bromo-1H-pyrrolo[2,3-b]pyridine
EC Number:
629-247-8
Cas Number:
183208-35-7
Molecular formula:
C7H5BrN2
IUPAC Name:
5-bromo-1H-pyrrolo[2,3-b]pyridine
Test material form:
other: solid
Details on test material:
Purity: >99%
Expiry date: 03 September 2010

Results and discussion

Water solubility
Water solubility:
66.4 mg/L
Temp.:
20 °C
pH:
6.6
Remarks on result:
other: mean of three replicates
Details on results:
The water solubility of the test item was increasing over time for 96 h and remained stable afterwards.
The initially added amount of test substance was 1000 mg per litre deionised water.
The measured concentrations were:
33.3 mg/l after 48 h (i.e. 24 h and 30 +/- 0.5°C and 24 h at 20 +/- 0.5°C), pH 7.5
35.1 mg/l after 72 h (i.e. 48 h and 30 +/- 0.5°C and 24 h at 20 +/- 0.5°C), pH 7.2
61.9 mg/l after 96 h (i.e. 72 h and 30+/- 0.5°C and 24 h at 20 +/- 0.5°C), pH 7.0
70.0 mg/l after 192 h (i.e. 168 h and 30 +/- 0.5°C and 24 h at 20 +/- 0.5°C), pH 6.1
67.2 mg/l after 240 h (i.e. 216 h and 30+/- 0.5°C and 24 h at 20 +/- 0.5°C), pH 6.6

Any other information on results incl. tables

The determination is considered valid, since the last two measured concentrations differ by less than 15%.

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)
Based on the measured concentrations, the water solubility was determined to be 66.4 mg/l at 20 +/- 0.5 °C and a pH of 6.6 (mean of three replicates).
Executive summary:

Method: The water solubility of the test substance was investigated by dissolving the test substance at 30°C for at least 24 h and equilibration at 20 +/- 05°C for again 24 h, both by using a magnetic stirrer. The water solubility of the test substance was increasing over time for 96 h and remained stable afterwards. The initially added amount of test substance was 1000 mg per L deionised water.

Results: The measured concentrations were:

33.3 mg/l after 48 h (i.e. 24 h and 30 +/- 0.5°C and 24 h at 20 +/- 0.5°C), pH 7.5

35.1 mg/l after 72 h (i.e. 48 h and 30 +/- 0.5°C and 24 h at 20 +/- 0.5°C), pH 7.2

61.9 mg/l after 96 h (Le. 72 h and 30+/- 0.5°C and 24 h at 20 +/- 0.5°C), pH 7.0

70.0 mg/l after 192 h (i.e. 168 h and 30 +/- 0.5°C and 24 h at 20 +/- 0.5°C), pH 6.1

67.2 mg/l after 240 h (i.e. 216 h and 30+/- 0.5°C and 24 h at 20 +/- 0.5°C), pH 6.6

Conculsion: Based on the measured concentrations, the water solubility was determined to be 66.4 mg/l at 20 +/-0.5°C and a pH of 6.6 (mean of three replicates).