1H-Pyrrolo[2,3-b]pyridine, 5-bromo-

Water solubility

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 guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 105 (Water Solubility)

Deviations:

yes

Remarks:

minor

Test guideline 2

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

Test material information

Constituent 1

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).