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Administrative data

Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental start date 14 September 2018, Experimental completion date 09 November 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
column elution method

Test material

1
Chemical structure
Reference substance name:
2-bromo-6-(4-methylbenzoyl)pyridine
EC Number:
618-079-0
Cas Number:
87848-95-1
Molecular formula:
C13H10BrNO
IUPAC Name:
2-bromo-6-(4-methylbenzoyl)pyridine

Results and discussion

Water solubility
Key result
Water solubility:
>= 6 - <= 6.2 mg/L
Conc. based on:
test mat.
Temp.:
20 °C
pH:
ca. 6.8

Any other information on results incl. tables

The detector calibration was found to be linear over the range 0 to 10 mg/L with a regression coefficient of 1.0000

The tables sbelow present a summary of the results of the test. It shows a measured solubility of 6.1 ± 0.1 mg/L.

Column flow rate 0.4 mL/minute

Sample number Solubility (mg/L) pH
0.4A 6.875 6.7
0.4B 6.680 6.8
0.4C 6.626 6.7
0.4D 6.180 6.8
0.4E 6.117 6.8
0.4F 5.938 6.8

Water solubility = 6.08 ± 0.13 mg/L (RSD = 2.1%), determined as the mean of samples D to F once an equilibrium value had been established.

Column flow rate 0.2 mL/minute

Sample number Solubility (mg/L) pH
0.2A 6.274 6.9
0.2B 6.226 6.8
0.2C 6.057 6.8
0.2D 6.040 6.9
0.2E 6.120 6.9

Acceptable mean recoveries of approximately 99 and 95% of 2-Bromo-6-(4-toluoyl)pyridine from fortified samples were achieved at the high and LOQ levels, respectively.

Applicant's summary and conclusion

Conclusions:
The water solubility of 2-Bromo-6-(4-toluoyl)pyridine was determined to be 6.1 mg/L at 20 °C.